7-chloro-1-cyclobutyl-6-fluoro-N-[4-[(2R)-3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide;7-chloro-1-cyclobutyl-6-fluoro-N-[4-[3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide;7-chloro-1-cyclopropyl-6-fluoro-N-[4-[[(6-methylquinoline-2-carbonyl)amino]methyl]cyclohexyl]-4-oxoquinoline-3-carboxamide;7-chloro-1-cyclopropyl-6-fluoro-N-[4-[2-(6-methylquinolin-2-yl)-2-oxoethyl]cyclohexyl]-4-oxoquinoline-3-carboxamide;N-[[4-[(7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carbonyl)amino]cyclohexyl]methyl]-5-methyl-1,3-benzothiazole-2-carboxamide

C147H149Cl5F7N19O17S — CID 164962868

IUPAC7-chloro-1-cyclobutyl-6-fluoro-N-[4-[(2R)-3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide;7-chloro-1-cyclobutyl-6-fluoro-N-[4-[3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide;7-chloro-1-cyclopropyl-6-fluoro-N-[4-[[(6-methylquinoline-2-carbonyl)amino]methyl]cyclohexyl]-4-oxoquinoline-3-carboxamide;7-chloro-1-cyclopropyl-6-fluoro-N-[4-[2-(6-methylquinolin-2-yl)-2-oxoethyl]cyclohexyl]-4-oxoquinoline-3-carboxamide;N-[[4-[(7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carbonyl)amino]cyclohexyl]methyl]-5-methyl-1,3-benzothiazole-2-carboxamide
SMILESCc1ccc(OCC(O)CN2CCN(NC(=O)c3cn(C4CCC4)c4cc(Cl)c(F)cc4c3=O)CC2)cc1F.Cc1ccc(OC[C@H](O)CN2CCN(NC(=O)c3cn(C4CCC4)c4cc(Cl)c(F)cc4c3=O)CC2)cc1F.Cc1ccc2nc(C(=O)CC3CCC(NC(=O)c4cn(C5CC5)c5cc(Cl)c(F)cc5c4=O)CC3)ccc2c1.Cc1ccc2nc(C(=O)NCC3CCC(NC(=O)c4cn(C5CC5)c5cc(Cl)c(F)cc5c4=O)CC3)ccc2c1.Cc1ccc2sc(C(=O)NCC3CCC(NC(=O)c4cn(C5CC5)c5cc(Cl)c(F)cc5c4=O)CC3)nc2c1
InChIInChI=1S/C31H30ClFN4O3.C31H29ClFN3O3.C29H28ClFN4O3S.2C28H31ClF2N4O4/c1-17-2-10-26-19(12-17)5-11-27(36-26)31(40)34-15-18-3-6-20(7-4-18)35-30(39)23-16-37(21-8-9-21)28-14-24(32)25(33)13-22(28)29(23)38;1-17-2-10-26-19(12-17)5-11-27(35-26)29(37)13-18-3-6-20(7-4-18)34-31(39)23-16-36(21-8-9-21)28-15-24(32)25(33)14-22(28)30(23)38;1-15-2-9-25-23(10-15)34-29(39-25)28(38)32-13-16-3-5-17(6-4-16)33-27(37)20-14-35(18-7-8-18)24-12-21(30)22(31)11-19(24)26(20)36;2*1-17-5-6-20(11-24(17)30)39-16-19(36)14-33-7-9-34(10-8-33)32-28(38)22-15-35(18-3-2-4-18)26-13-23(29)25(31)12-21(26)27(22)37/h2,5,10-14,16,18,20-21H,3-4,6-9,15H2,1H3,(H,34,40)(H,35,39);2,5,10-12,14-16,18,20-21H,3-4,6-9,13H2,1H3,(H,34,39);2,9-12,14,16-18H,3-8,13H2,1H3,(H,32,38)(H,33,37);2*5-6,11-13,15,18-19,36H,2-4,7-10,14,16H2,1H3,(H,32,38)/t;;;19-;/m...1./s1
InChIKeyCBTWZBMPPAOVIO-RHQRFNAWSA-N
MW2796.24 g/mol
LogP25.35
Rot. Bonds34

About 7-chloro-1-cyclobutyl-6-fluoro-N-[4-[(2R)-3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide;7-chloro-1-cyclobutyl-6-fluoro-N-[4-[3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide;7-chloro-1-cyclopropyl-6-fluoro-N-[4-[[(6-methylquinoline-2-carbonyl)amino]methyl]cyclohexyl]-4-oxoquinoline-3-carboxamide;7-chloro-1-cyclopropyl-6-fluoro-N-[4-[2-(6-methylquinolin-2-yl)-2-oxoethyl]cyclohexyl]-4-oxoquinoline-3-carboxamide;N-[[4-[(7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carbonyl)amino]cyclohexyl]methyl]-5-methyl-1,3-benzothiazole-2-carboxamide

7-chloro-1-cyclobutyl-6-fluoro-N-[4-[(2R)-3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide;7-chloro-1-cyclobutyl-6-fluoro-N-[4-[3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide;7-chloro-1-cyclopropyl-6-fluoro-N-[4-[[(6-methylquinoline-2-carbonyl)amino]methyl]cyclohexyl]-4-oxoquinoline-3-carboxamide;7-chloro-1-cyclopropyl-6-fluoro-N-[4-[2-(6-methylquinolin-2-yl)-2-oxoethyl]cyclohexyl]-4-oxoquinoline-3-carboxamide;N-[[4-[(7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carbonyl)amino]cyclohexyl]methyl]-5-methyl-1,3-benzothiazole-2-carboxamide (PubChem CID 164962868) has the molecular formula C147H149Cl5F7N19O17S and a molecular weight of 2796.24 g/mol. Its IUPAC name is 7-chloro-1-cyclobutyl-6-fluoro-N-[4-[(2R)-3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide;7-chloro-1-cyclobutyl-6-fluoro-N-[4-[3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide;7-chloro-1-cyclopropyl-6-fluoro-N-[4-[[(6-methylquinoline-2-carbonyl)amino]methyl]cyclohexyl]-4-oxoquinoline-3-carboxamide;7-chloro-1-cyclopropyl-6-fluoro-N-[4-[2-(6-methylquinolin-2-yl)-2-oxoethyl]cyclohexyl]-4-oxoquinoline-3-carboxamide;N-[[4-[(7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carbonyl)amino]cyclohexyl]methyl]-5-methyl-1,3-benzothiazole-2-carboxamide.

Molecular Properties

Compound Name7-chloro-1-cyclobutyl-6-fluoro-N-[4-[(2R)-3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide;7-chloro-1-cyclobutyl-6-fluoro-N-[4-[3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide;7-chloro-1-cyclopropyl-6-fluoro-N-[4-[[(6-methylquinoline-2-carbonyl)amino]methyl]cyclohexyl]-4-oxoquinoline-3-carboxamide;7-chloro-1-cyclopropyl-6-fluoro-N-[4-[2-(6-methylquinolin-2-yl)-2-oxoethyl]cyclohexyl]-4-oxoquinoline-3-carboxamide;N-[[4-[(7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carbonyl)amino]cyclohexyl]methyl]-5-methyl-1,3-benzothiazole-2-carboxamide
PubChem CID164962868
Molecular FormulaC147H149Cl5F7N19O17S
Molecular Weight2796.24 g/mol
Exact Mass2791.94
IUPAC Name7-chloro-1-cyclobutyl-6-fluoro-N-[4-[(2R)-3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide;7-chloro-1-cyclobutyl-6-fluoro-N-[4-[3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide;7-chloro-1-cyclopropyl-6-fluoro-N-[4-[[(6-methylquinoline-2-carbonyl)amino]methyl]cyclohexyl]-4-oxoquinoline-3-carboxamide;7-chloro-1-cyclopropyl-6-fluoro-N-[4-[2-(6-methylquinolin-2-yl)-2-oxoethyl]cyclohexyl]-4-oxoquinoline-3-carboxamide;N-[[4-[(7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carbonyl)amino]cyclohexyl]methyl]-5-methyl-1,3-benzothiazole-2-carboxamide
SMILESCc1ccc(OCC(O)CN2CCN(NC(=O)c3cn(C4CCC4)c4cc(Cl)c(F)cc4c3=O)CC2)cc1F.Cc1ccc(OC[C@H](O)CN2CCN(NC(=O)c3cn(C4CCC4)c4cc(Cl)c(F)cc4c3=O)CC2)cc1F.Cc1ccc2nc(C(=O)CC3CCC(NC(=O)c4cn(C5CC5)c5cc(Cl)c(F)cc5c4=O)CC3)ccc2c1.Cc1ccc2nc(C(=O)NCC3CCC(NC(=O)c4cn(C5CC5)c5cc(Cl)c(F)cc5c4=O)CC3)ccc2c1.Cc1ccc2sc(C(=O)NCC3CCC(NC(=O)c4cn(C5CC5)c5cc(Cl)c(F)cc5c4=O)CC3)nc2c1
InChIInChI=1S/C31H30ClFN4O3.C31H29ClFN3O3.C29H28ClFN4O3S.2C28H31ClF2N4O4/c1-17-2-10-26-19(12-17)5-11-27(36-26)31(40)34-15-18-3-6-20(7-4-18)35-30(39)23-16-37(21-8-9-21)28-14-24(32)25(33)13-22(28)29(23)38;1-17-2-10-26-19(12-17)5-11-27(35-26)29(37)13-18-3-6-20(7-4-18)34-31(39)23-16-36(21-8-9-21)28-15-24(32)25(33)14-22(28)30(23)38;1-15-2-9-25-23(10-15)34-29(39-25)28(38)32-13-16-3-5-17(6-4-16)33-27(37)20-14-35(18-7-8-18)24-12-21(30)22(31)11-19(24)26(20)36;2*1-17-5-6-20(11-24(17)30)39-16-19(36)14-33-7-9-34(10-8-33)32-28(38)22-15-35(18-3-2-4-18)26-13-23(29)25(31)12-21(26)27(22)37/h2,5,10-14,16,18,20-21H,3-4,6-9,15H2,1H3,(H,34,40)(H,35,39);2,5,10-12,14-16,18,20-21H,3-4,6-9,13H2,1H3,(H,34,39);2,9-12,14,16-18H,3-8,13H2,1H3,(H,32,38)(H,33,37);2*5-6,11-13,15,18-19,36H,2-4,7-10,14,16H2,1H3,(H,32,38)/t;;;19-;/m...1./s1
InChIKeyCBTWZBMPPAOVIO-RHQRFNAWSA-N
XLogP25.35
TPSA441.32 Ų
H-Bond Donors9
H-Bond Acceptors30
Rotatable Bonds34
Heavy Atoms196
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002796.24
LogP ≤ 525.35
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1030

Analyze 7-chloro-1-cyclobutyl-6-fluoro-N-[4-[(2R)-3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide;7-chloro-1-cyclobutyl-6-fluoro-N-[4-[3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide;7-chloro-1-cyclopropyl-6-fluoro-N-[4-[[(6-methylquinoline-2-carbonyl)amino]methyl]cyclohexyl]-4-oxoquinoline-3-carboxamide;7-chloro-1-cyclopropyl-6-fluoro-N-[4-[2-(6-methylquinolin-2-yl)-2-oxoethyl]cyclohexyl]-4-oxoquinoline-3-carboxamide;N-[[4-[(7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carbonyl)amino]cyclohexyl]methyl]-5-methyl-1,3-benzothiazole-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

7-chloro-1-cyclopropyl-6-fluoro-N-[4-[3-(4-methylphenoxy)-2-oxopropyl]cyclohexyl]-4-oxoquinoline-3-carboxamide;7-chloro-1-cyclopropyl-6-fluoro-N-[1-[2-(6-methylquinolin-2-yl)-2-oxoethyl]piperidin-4-yl]-4-oxoquinoline-3-carboxamide;7-chloro-1-cyclopropyl-6-fluoro-N-[4-[2-(6-methylquinolin-2-yl)-2-oxoethyl]piperidin-1-yl]-4-oxoquinoline-3-carboxamide
CID 165049938
7-chloro-1-cyclobutyl-6-fluoro-N-[1-[3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperidin-4-yl]-4-oxoquinoline-3-carboxamide
CID 165007868
7-chloro-1-cyclopropyl-6-fluoro-N-[4-[[[(2S)-3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]amino]methyl]cyclohexyl]-4-oxoquinoline-3-carboxamide
CID 165023564
7-chloro-N-[4-[2-(5-chloro-1,3-benzothiazol-2-yl)-2-oxoethyl]piperidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxamide
CID 161410871
7-chloro-N-[4-[[[(2R)-3-(4-chloro-3-fluorophenoxy)-2-hydroxypropyl]amino]methyl]cyclohexyl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxamide
CID 155401492
7-chloro-1-cyclopropyl-6-fluoro-N-[1-[3-(3-fluoro-4-methylphenoxy)propyl]piperidin-4-yl]-4-oxoquinoline-3-carboxamide
CID 164967058
1-(1-aminocyclopropyl)-7-chloro-6-fluoro-N-[4-[(2S)-3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide;1-(1-aminocyclopropyl)-7-chloro-6-fluoro-N-[4-[(2R)-3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide;1-(1-aminocyclopropyl)-7-chloro-6-fluoro-N-[4-[3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide;7-chloro-1-(2-ethenylcyclopropyl)-6-fluoro-N-[4-[(2R)-3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide;7-chloro-1-(2-ethenylcyclopropyl)-6-fluoro-N-[4-[3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide
CID 165024708
5-chloro-N-[1-[2-hydroxy-3-(4-methylphenoxy)propyl]piperidin-4-yl]-1,3-benzothiazole-2-carboxamide
CID 163879377
7-chloro-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]cyclohexyl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxamide
CID 155386722
7-chloro-1-cyclopropyl-6-fluoro-N-[4-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide
CID 155401502
7-chloro-N-[4-[2-(4-cyanophenyl)-2-oxoethyl]cyclohexyl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxamide
CID 158718270
6-chloro-N-[4-[(3S)-4-(4-chloro-3-fluorophenoxy)-3-hydroxybutyl]piperidin-1-yl]quinoline-2-carboxamide;sulfane
CID 163693863

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-cyclobutyl-6-fluoro-N-[4-[(2R)-3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide;7-chloro-1-cyclobutyl-6-fluoro-N-[4-[3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide;7-chloro-1-cyclopropyl-6-fluoro-N-[4-[[(6-methylquinoline-2-carbonyl)amino]methyl]cyclohexyl]-4-oxoquinoline-3-carboxamide;7-chloro-1-cyclopropyl-6-fluoro-N-[4-[2-(6-methylquinolin-2-yl)-2-oxoethyl]cyclohexyl]-4-oxoquinoline-3-carboxamide;N-[[4-[(7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carbonyl)amino]cyclohexyl]methyl]-5-methyl-1,3-benzothiazole-2-carboxamide?
The IUPAC name of 7-chloro-1-cyclobutyl-6-fluoro-N-[4-[(2R)-3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide;7-chloro-1-cyclobutyl-6-fluoro-N-[4-[3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide;7-chloro-1-cyclopropyl-6-fluoro-N-[4-[[(6-methylquinoline-2-carbonyl)amino]methyl]cyclohexyl]-4-oxoquinoline-3-carboxamide;7-chloro-1-cyclopropyl-6-fluoro-N-[4-[2-(6-methylquinolin-2-yl)-2-oxoethyl]cyclohexyl]-4-oxoquinoline-3-carboxamide;N-[[4-[(7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carbonyl)amino]cyclohexyl]methyl]-5-methyl-1,3-benzothiazole-2-carboxamide (CID 164962868) is 7-chloro-1-cyclobutyl-6-fluoro-N-[4-[(2R)-3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide;7-chloro-1-cyclobutyl-6-fluoro-N-[4-[3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide;7-chloro-1-cyclopropyl-6-fluoro-N-[4-[[(6-methylquinoline-2-carbonyl)amino]methyl]cyclohexyl]-4-oxoquinoline-3-carboxamide;7-chloro-1-cyclopropyl-6-fluoro-N-[4-[2-(6-methylquinolin-2-yl)-2-oxoethyl]cyclohexyl]-4-oxoquinoline-3-carboxamide;N-[[4-[(7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carbonyl)amino]cyclohexyl]methyl]-5-methyl-1,3-benzothiazole-2-carboxamide.
What is the SMILES notation for 7-chloro-1-cyclobutyl-6-fluoro-N-[4-[(2R)-3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide;7-chloro-1-cyclobutyl-6-fluoro-N-[4-[3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide;7-chloro-1-cyclopropyl-6-fluoro-N-[4-[[(6-methylquinoline-2-carbonyl)amino]methyl]cyclohexyl]-4-oxoquinoline-3-carboxamide;7-chloro-1-cyclopropyl-6-fluoro-N-[4-[2-(6-methylquinolin-2-yl)-2-oxoethyl]cyclohexyl]-4-oxoquinoline-3-carboxamide;N-[[4-[(7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carbonyl)amino]cyclohexyl]methyl]-5-methyl-1,3-benzothiazole-2-carboxamide?
The canonical SMILES for 7-chloro-1-cyclobutyl-6-fluoro-N-[4-[(2R)-3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide;7-chloro-1-cyclobutyl-6-fluoro-N-[4-[3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide;7-chloro-1-cyclopropyl-6-fluoro-N-[4-[[(6-methylquinoline-2-carbonyl)amino]methyl]cyclohexyl]-4-oxoquinoline-3-carboxamide;7-chloro-1-cyclopropyl-6-fluoro-N-[4-[2-(6-methylquinolin-2-yl)-2-oxoethyl]cyclohexyl]-4-oxoquinoline-3-carboxamide;N-[[4-[(7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carbonyl)amino]cyclohexyl]methyl]-5-methyl-1,3-benzothiazole-2-carboxamide is Cc1ccc(OCC(O)CN2CCN(NC(=O)c3cn(C4CCC4)c4cc(Cl)c(F)cc4c3=O)CC2)cc1F.Cc1ccc(OC[C@H](O)CN2CCN(NC(=O)c3cn(C4CCC4)c4cc(Cl)c(F)cc4c3=O)CC2)cc1F.Cc1ccc2nc(C(=O)CC3CCC(NC(=O)c4cn(C5CC5)c5cc(Cl)c(F)cc5c4=O)CC3)ccc2c1.Cc1ccc2nc(C(=O)NCC3CCC(NC(=O)c4cn(C5CC5)c5cc(Cl)c(F)cc5c4=O)CC3)ccc2c1.Cc1ccc2sc(C(=O)NCC3CCC(NC(=O)c4cn(C5CC5)c5cc(Cl)c(F)cc5c4=O)CC3)nc2c1.
What is the InChIKey of 7-chloro-1-cyclobutyl-6-fluoro-N-[4-[(2R)-3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide;7-chloro-1-cyclobutyl-6-fluoro-N-[4-[3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide;7-chloro-1-cyclopropyl-6-fluoro-N-[4-[[(6-methylquinoline-2-carbonyl)amino]methyl]cyclohexyl]-4-oxoquinoline-3-carboxamide;7-chloro-1-cyclopropyl-6-fluoro-N-[4-[2-(6-methylquinolin-2-yl)-2-oxoethyl]cyclohexyl]-4-oxoquinoline-3-carboxamide;N-[[4-[(7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carbonyl)amino]cyclohexyl]methyl]-5-methyl-1,3-benzothiazole-2-carboxamide?
The InChIKey is CBTWZBMPPAOVIO-RHQRFNAWSA-N. The full InChI is InChI=1S/C31H30ClFN4O3.C31H29ClFN3O3.C29H28ClFN4O3S.2C28H31ClF2N4O4/c1-17-2-10-26-19(12-17)5-11-27(36-26)31(40)34-15-18-3-6-20(7-4-18)35-30(39)23-16-37(21-8-9-21)28-14-24(32)25(33)13-22(28)29(23)38;1-17-2-10-26-19(12-17)5-11-27(35-26)29(37)13-18-3-6-20(7-4-18)34-31(39)23-16-36(21-8-9-21)28-15-24(32)25(33)14-22(28)30(23)38;1-15-2-9-25-23(10-15)34-29(39-25)28(38)32-13-16-3-5-17(6-4-16)33-27(37)20-14-35(18-7-8-18)24-12-21(30)22(31)11-19(24)26(20)36;2*1-17-5-6-20(11-24(17)30)39-16-19(36)14-33-7-9-34(10-8-33)32-28(38)22-15-35(18-3-2-4-18)26-13-23(29)25(31)12-21(26)27(22)37/h2,5,10-14,16,18,20-21H,3-4,6-9,15H2,1H3,(H,34,40)(H,35,39);2,5,10-12,14-16,18,20-21H,3-4,6-9,13H2,1H3,(H,34,39);2,9-12,14,16-18H,3-8,13H2,1H3,(H,32,38)(H,33,37);2*5-6,11-13,15,18-19,36H,2-4,7-10,14,16H2,1H3,(H,32,38)/t;;;19-;/m...1./s1.
What are the key properties of 7-chloro-1-cyclobutyl-6-fluoro-N-[4-[(2R)-3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide;7-chloro-1-cyclobutyl-6-fluoro-N-[4-[3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide;7-chloro-1-cyclopropyl-6-fluoro-N-[4-[[(6-methylquinoline-2-carbonyl)amino]methyl]cyclohexyl]-4-oxoquinoline-3-carboxamide;7-chloro-1-cyclopropyl-6-fluoro-N-[4-[2-(6-methylquinolin-2-yl)-2-oxoethyl]cyclohexyl]-4-oxoquinoline-3-carboxamide;N-[[4-[(7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carbonyl)amino]cyclohexyl]methyl]-5-methyl-1,3-benzothiazole-2-carboxamide?
7-chloro-1-cyclobutyl-6-fluoro-N-[4-[(2R)-3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide;7-chloro-1-cyclobutyl-6-fluoro-N-[4-[3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide;7-chloro-1-cyclopropyl-6-fluoro-N-[4-[[(6-methylquinoline-2-carbonyl)amino]methyl]cyclohexyl]-4-oxoquinoline-3-carboxamide;7-chloro-1-cyclopropyl-6-fluoro-N-[4-[2-(6-methylquinolin-2-yl)-2-oxoethyl]cyclohexyl]-4-oxoquinoline-3-carboxamide;N-[[4-[(7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carbonyl)amino]cyclohexyl]methyl]-5-methyl-1,3-benzothiazole-2-carboxamide has a molecular weight of 2796.24 g/mol, XLogP of 25.35, 34 rotatable bonds, 9 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-cyclobutyl-6-fluoro-N-[4-[(2R)-3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide;7-chloro-1-cyclobutyl-6-fluoro-N-[4-[3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide;7-chloro-1-cyclopropyl-6-fluoro-N-[4-[[(6-methylquinoline-2-carbonyl)amino]methyl]cyclohexyl]-4-oxoquinoline-3-carboxamide;7-chloro-1-cyclopropyl-6-fluoro-N-[4-[2-(6-methylquinolin-2-yl)-2-oxoethyl]cyclohexyl]-4-oxoquinoline-3-carboxamide;N-[[4-[(7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carbonyl)amino]cyclohexyl]methyl]-5-methyl-1,3-benzothiazole-2-carboxamide is sourced from PubChem (CID 164962868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).