Quinolines and derivatives
Dermofungin, TRC
CAS: 130-16-5 Molecular Formula: C9 H6 Cl N O Molecular Weight (g/mol): 179.6 Synonym: Cloxiquine,5-Chloro-8-hydroxyquinoline,5-Chloro-8-oxyquinoline,5-Chloro-8-quinolinol,5-Chloroquinoline-8-ol,5-Chlorooxine,8-Hydroxy-5-chloroquinoline,Cloxyquin,Dermofongin,Dermofungin,NSC 35083,NSC 53182,NSC 74943,Clioquinol Imp. A (EP) IUPAC Name: 5-chloroquinolin-8-ol SMILES: Oc1ccc(Cl)c2cccnc12
Delafloxacin, TRC
CAS: 189279-58-1 Molecular Formula: C18 H12 Cl F3 N4 O4 Molecular Weight (g/mol): 440.76 Synonym: 1-(6-Amino-3,5-difluoro-2-pyridinyl)-8-chloro-6-fluoro-1,4-dihydro-7-(3-hydroxy-1-azetidinyl)-4-oxo-3-quinolinecarboxylic Acid,1-(6-Amino-3,5-difluoro-2-pyridinyl)-8-chloro-6-fluoro-1,4-dihydro-7-(3-hydroxy-1-azetidinyl)-4-oxo-3-quinolinecarboxylic acid,1-(6-Amino-3,5-difluoropyridin-2-yl)-8-chloro-6-fluoro-7-(3-hydroxyazetidin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid,ABT 492,Delafloxacin,Delafloxacinum,RX 3341,WQ 3034 IUPAC Name: 1-(6-amino-3,5-difluoropyridin-2-yl)-8-chloro-6-fluoro-7-(3-hydroxyazetidin-1-yl)-4-oxoquinoline-3-carboxylic acid SMILES: Nc1nc(N2C=C(C(=O)O)C(=O)c3cc(F)c(N4CC(O)C4)c(Cl)c23)c(F)cc1F
Amodiaquine, TRC
CAS: 86-42-0 Molecular Formula: C20 H22 Cl N3 O Molecular Weight (g/mol): 355.86 Synonym: Phenol, 4-[(7-chloro-4-quinolinyl)amino]-2-[(diethylamino)methyl]-,o-Cresol, 4-[(7-chloro-4-quinolyl)amino]-α-(diethylamino)- (6CI,7CI,8CI),4-[(7-Chloro-4-quinolinyl)amino]-2-[(diethylamino)methyl]phenol,7-Chloro-4-(3-diethylaminomethyl-4-hydroxyanilino)quinoline,Amodiaquin,Amodiaquine,CAM-AQ 1,CAM-AQI,Camochin,Camoquin,Camoquinal,Camoquine,Flavoquine,Miaquin,NSC 13453,Quinoline, 7-chloro-4-[[3-[(diethylamino)methyl]-4-hydroxyphenyl]amino]-,SN 10,751,SN 10751,Sunoquine IUPAC Name: 4-[(7-chloroquinolin-4-yl)amino]-2-(diethylaminomethyl)phenol SMILES: CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O
Clinafloxacin, TRC
CAS: 105956-97-6 Molecular Formula: C17H17ClFN3O3 Molecular Weight (g/mol): 365.79 Synonym: 7-(3-Amino-1-pyrrolidinyl)-8-chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid,Clinafloxacin,PD 127391; IUPAC Name: 7-(3-aminopyrrolidin-1-yl)-8-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid SMILES: NC1CCN(C1)c2c(F)cc3C(=O)C(=CN(C4CC4)c3c2Cl)C(=O)O
Indacaterol, TRC
CAS: 312753-06-3 Molecular Formula: C24H28N2O3 Molecular Weight (g/mol): 392.5 Synonym: QAB149 IUPAC Name: 5-[(1R )-2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-8-hydroxy 2(1H )-quinolinone SMILES: O[C@H](C1=C(C=CC(N2)=O)C2=C(O)C=C1)CNC3CC4=CC(CC)=C(CC)C=C4C3
Lomefloxacin, TRC
CAS: 98079-51-7 Molecular Formula: C17 H19 F2 N3 O3 Molecular Weight (g/mol): 351.3479 Synonym: 3-Quinolinecarboxylic acid, 1-ethyl-6,8-difluoro-1,4-dihydro-7-(3-methyl-1-piperazinyl)-4-oxo-,1-Ethyl-6,8-difluoro-1,4-dihydro-7-(3-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid,1-Ethyl-6,8-difluoro-7-(3-methyl-1-piperazinyl)-4-oxo-1,4-dihydro-3-quinoline carboxylic acid,DM 10,DM 10 (bactericide),Lomefloxacin,SC 47111A IUPAC Name: 1-ethyl-6,8-difluoro-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid SMILES: CCN1C=C(C(=O)O)C(=O)c2cc(F)c(N3CCNC(C)C3)c(F)c12
Norfloxacin, TRC
CAS: 70458-96-7 Molecular Formula: C16 H18 F N3 O3 Molecular Weight (g/mol): 319.33 Synonym: 3-Quinolinecarboxylic acid, 1-ethyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-,1-Ethyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid,1-Ethyl-6-fluoro-1,4-dihydro-7-(1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid,4803P,AM 715,Amicrobin,Baccidal,Barazan,Barotham,Chibroxin,Chibroxine,Chibroxol,Esclebin,Floxacin,Floxacin 400,Fulgram,Gonorcin,Lexinor,Mk 0366,N-Demethylpefloxacin,N-Desmethylpefloxacin,Neofloxacin,Neofloxin,Noflo,Nofocin,Nolicin,Noracin,Noraxin,Norbid,Norflox,Norflox 400,Norfloxacin,Norfloxacin Bayvit,Norfloxacine,Norfloxacine EG,Norfloxacine Ratiopharm,Norfloxacine Teva,Norfloxin,Norilet,Normax,Norocin,Noroxacine,Noroxin,Noroxine,Norphloxacine,Norxacin,Renosept,Sebercim,Spectrama,Urekacin,Uriflox,Uroflox,Urotrobel,Uroxacin,Utin,Utinor,Zoroxin IUPAC Name: 1-ethyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid SMILES: CCN1C=C(C(=O)O)C(=O)c2cc(F)c(cc12)N3CCNCC3
Narciclasine, TRC
CAS: 29477-83-6 Molecular Formula: C14 H13 N O7 Molecular Weight (g/mol): 307.2555 Synonym: [1,3]Dioxolo[4,5-j]phenanthridin-6(2H)-one, 3,4,4a,5-tetrahydro-2,3,4,7-tetrahydroxy-, (2S,3R,4S,4aR)-,[1,3]Dioxolo[4,5-j]phenanthridin-6(2H)-one, 3,4,4a,5-tetrahydro-2,3,4,7-tetrahydroxy-, [2S-(2α,3β,4β,4aβ)]-,(+)-Lycoricidinol,(+)-Narciclasine,Lycoricidinol IUPAC Name: (2S,3R,4S,4aR)-2,3,4,7-tetrahydroxy-3,4,4a,5-tetrahydro-2H-[1,3]dioxolo[4,5-j]phenanthridin-6-one SMILES: O[C@H]1C=C2[C@@H](NC(=O)c3c(O)c4OCOc4cc23)[C@H](O)[C@@H]1O
Lenvatinib, TRC
CAS: 417716-92-8 Molecular Formula: C21 H19 Cl N4 O4 Molecular Weight (g/mol): 426.85 Synonym: 6-Quinolinecarboxamide, 4-[3-chloro-4-[[(cyclopropylamino)carbonyl]amino]phenoxy]-7-methoxy-,4-[3-Chloro-4-[[(cyclopropylamino)carbonyl]amino]phenoxy]-7-methoxy-6-quinolinecarboxamide,E 7080,ER 203492-00,Lenvatinib,Lenvima IUPAC Name: 4-[3-chloro-4-(cyclopropylcarbamoylamino)phenoxy]-7-methoxyquinoline-6-carboxamide SMILES: COc1cc2nccc(Oc3ccc(NC(=O)NC4CC4)c(Cl)c3)c2cc1C(=O)N
Elvitegravir, TRC
CAS: 697761-98-1 Molecular Formula: C23 H23 Cl F N O5 Molecular Weight (g/mol): 447.88 Synonym: Elvitegravir,3-Quinolinecarboxylic acid, 6-[(3-chloro-2-fluorophenyl)methyl]-1,4-dihydro-1-[(1S)-1-(hydroxymethyl)-2-methylpropyl]-7-methoxy-4-oxo-,6-[(3-Chloro-2-fluorophenyl)methyl]-1,4-dihydro-1-[(1S)-1-(hydroxymethyl)-2-methylpropyl]-7-methoxy-4-oxo-3-quinolinecarboxylic acid,1,4-Dihydro-6-(3-chloro-2-fluorobenzyl)-7-methoxy-1-[(1S)-1-(hydroxymethyl)-2-methylpropyl]-4-oxo-3-quinolinecarboxylic acid,6-(3-Chloro-2-fluorobenzyl)-1-[(S)-1-hydroxymethyl-2-methylpropyl]-7-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid,GS 9137,JTK 303,Vitekta IUPAC Name: 6-[(3-chloro-2-fluorophenyl)methyl]-1-[(2S)-1-hydroxy-3-methylbutan-2-yl]-7-methoxy-4-oxoquinoline-3-carboxylic acid SMILES: COc1cc2N(C=C(C(=O)O)C(=O)c2cc1Cc3cccc(Cl)c3F)[C@H](CO)C(C)C
Pazufloxacin, TRC
CAS: 127045-41-4 Molecular Formula: C16 H15 F N2 O4 Molecular Weight (g/mol): 318.3 Synonym: 7H-Pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid, 10-(1-aminocyclopropyl)-9-fluoro-2,3-dihydro-3-methyl-7-oxo-, (3S)-,7H-Pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid, 10-(1-aminocyclopropyl)-9-fluoro-2,3-dihydro-3-methyl-7-oxo-, (S)-,(3S)-10-(1-Aminocyclopropyl)-9-fluoro-2,3-dihydro-3-methyl-7-oxo-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid,(-)-(3S)-10-(1-Aminocyclopropyl)-9-fluoro-2,3-dihydro-3-methyl-7-oxo-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid,Pazufloxacin,T 3761 SMILES: C[C@H]1COc2c3N1C=C(C(=O)O)C(=O)c3cc(F)c2C4(N)CC4
Moxifloxacin, TRC
CAS: 151096-09-2 Molecular Formula: C21 H24 F N3 O4 Molecular Weight (g/mol): 401.43 Synonym: 3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-[(4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-,3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-(octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl)-4-oxo-, (4aS-cis)-,1-Cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-[(4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-3-quinolinecarboxylic acid,6H-Pyrrolo[3,4-b]pyridine, 3-quinolinecarboxylic acid deriv.,Avolex,Izilox,Moxeza,Moxicip,Moxifloxacin,Moxifloxacine,Rapiflox,Vigamox IUPAC Name: 7-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid SMILES: COc1c(N2C[C@@H]3CCCN[C@@H]3C2)c(F)cc4C(=O)C(=CN(C5CC5)c14)C(=O)O
Danofloxacin, TRC
CAS: 112398-08-0 Molecular Formula: C19 H20 F N3 O3 Molecular Weight (g/mol): 357.38 Synonym: 3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-7-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]hept-2-yl]-4-oxo-,3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-7-(5-methyl-2,5-diazabicyclo[2.2.1]hept-2-yl)-4-oxo-, (1S)-,1-Cyclopropyl-6-fluoro-1,4-dihydro-7-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]hept-2-yl]-4-oxo-3-quinolinecarboxylic acid,2,5-Diazabicyclo[2.2.1]heptane, 3-quinolinecarboxylic acid deriv.,Advocin,Advocip,Danofloxacin IUPAC Name: 1-cyclopropyl-6-fluoro-7-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-4-oxoquinoline-3-carboxylic acid SMILES: CN1C[C@@H]2C[C@H]1CN2c3cc4N(C=C(C(=O)O)C(=O)c4cc3F)C5CC5
Pefloxacinium, TRC
CAS: 70458-92-3 Molecular Formula: C17 H20 F N3 O3 Molecular Weight (g/mol): 333.36 Synonym: 3-Quinolinecarboxylic acid, 1-ethyl-6-fluoro-1,4-dihydro-7-(4-methyl-1-piperazinyl)-4-oxo- (9CI, ACI),1-Ethyl-6-fluoro-1,4-dihydro-7-(4-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid (ACI),1-Ethyl-6-fluoro-7-(4-methyl-piperazin-1-yl)-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid,1584RB,1589RB,Abactal,Abaktal,AM 725,EU 5306,Globacin,N'-Methylnorfloxacin,Pefbid,Peflacine,Pefloxacin,Pefloxacine,Pelox,Perflacin,Perti,1-Ethyl-6-fluoro-1,4-dihydro-7-(4-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid,1584RB,1589RB,AM 725,Abactal,Abaktal,EU 5306,Globacin,N'-Methylnorfloxacin,Pefbid,Peflacine,Pefloxacin,Pefloxacine,Pelox,Perflacin,Perti IUPAC Name: 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid SMILES: CCN1C=C(C(=O)O)C(=O)c2cc(F)c(cc12)N3CCN(C)CC3
Arainosine, TRC
CAS: 7013-16-3 Molecular Formula: C10H12N4O5 Molecular Weight (g/mol): 268.23 Synonym: 9-beta-D-Arabinofuranosyl-1,9-dihydro-6H-purin-6-one,9-beta-D-Arabinofuranosylhypoxanthine,Ara-H,Arabinosylhypoxanthine,Hypoxanthine Arabinoside,NSC 405122 IUPAC Name: 9-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one SMILES: OC[C@H]1O[C@H]([C@@H](O)[C@@H]1O)n2cnc3C(=O)NC=Nc23