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

C89H86Cl3F3N10O10 — CID 165049938

IUPAC7-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
SMILESCc1ccc(OCC(=O)CC2CCC(NC(=O)c3cn(C4CC4)c4cc(Cl)c(F)cc4c3=O)CC2)cc1.Cc1ccc2nc(C(=O)CC3CCN(NC(=O)c4cn(C5CC5)c5cc(Cl)c(F)cc5c4=O)CC3)ccc2c1.Cc1ccc2nc(C(=O)CN3CCC(NC(=O)c4cn(C5CC5)c5cc(Cl)c(F)cc5c4=O)CC3)ccc2c1
InChIInChI=1S/2C30H28ClFN4O3.C29H30ClFN2O4/c1-17-2-6-25-19(12-17)3-7-26(33-25)28(37)13-18-8-10-35(11-9-18)34-30(39)22-16-36(20-4-5-20)27-15-23(31)24(32)14-21(27)29(22)38;1-17-2-6-25-18(12-17)3-7-26(34-25)28(37)16-35-10-8-19(9-11-35)33-30(39)22-15-36(20-4-5-20)27-14-23(31)24(32)13-21(27)29(22)38;1-17-2-10-22(11-3-17)37-16-21(34)12-18-4-6-19(7-5-18)32-29(36)24-15-33(20-8-9-20)27-14-25(30)26(31)13-23(27)28(24)35/h2-3,6-7,12,14-16,18,20H,4-5,8-11,13H2,1H3,(H,34,39);2-3,6-7,12-15,19-20H,4-5,8-11,16H2,1H3,(H,33,39);2-3,10-11,13-15,18-20H,4-9,12,16H2,1H3,(H,32,36)
InChIKeyPMRJGKIFWDTGKJ-UHFFFAOYSA-N
MW1619.08 g/mol
LogP16.44
Rot. Bonds20

About 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

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 (PubChem CID 165049938) has the molecular formula C89H86Cl3F3N10O10 and a molecular weight of 1619.08 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-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
PubChem CID165049938
Molecular FormulaC89H86Cl3F3N10O10
Molecular Weight1619.08 g/mol
Exact Mass1616.55
IUPAC Name7-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
SMILESCc1ccc(OCC(=O)CC2CCC(NC(=O)c3cn(C4CC4)c4cc(Cl)c(F)cc4c3=O)CC2)cc1.Cc1ccc2nc(C(=O)CC3CCN(NC(=O)c4cn(C5CC5)c5cc(Cl)c(F)cc5c4=O)CC3)ccc2c1.Cc1ccc2nc(C(=O)CN3CCC(NC(=O)c4cn(C5CC5)c5cc(Cl)c(F)cc5c4=O)CC3)ccc2c1
InChIInChI=1S/2C30H28ClFN4O3.C29H30ClFN2O4/c1-17-2-6-25-19(12-17)3-7-26(33-25)28(37)13-18-8-10-35(11-9-18)34-30(39)22-16-36(20-4-5-20)27-15-23(31)24(32)14-21(27)29(22)38;1-17-2-6-25-18(12-17)3-7-26(34-25)28(37)16-35-10-8-19(9-11-35)33-30(39)22-15-36(20-4-5-20)27-14-23(31)24(32)13-21(27)29(22)38;1-17-2-10-22(11-3-17)37-16-21(34)12-18-4-6-19(7-5-18)32-29(36)24-15-33(20-8-9-20)27-14-25(30)26(31)13-23(27)28(24)35/h2-3,6-7,12,14-16,18,20H,4-5,8-11,13H2,1H3,(H,34,39);2-3,6-7,12-15,19-20H,4-5,8-11,16H2,1H3,(H,33,39);2-3,10-11,13-15,18-20H,4-9,12,16H2,1H3,(H,32,36)
InChIKeyPMRJGKIFWDTGKJ-UHFFFAOYSA-N
XLogP16.44
TPSA246.00 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds20
Heavy Atoms115
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001619.08
LogP ≤ 516.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1017

Analyze 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 with MolForge

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Related Compounds

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
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-1-cyclopropyl-6-fluoro-N-[1-[3-(3-fluoro-4-methylphenoxy)propyl]piperidin-4-yl]-4-oxoquinoline-3-carboxamide
CID 164967058
7-chloro-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]cyclohexyl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxamide
CID 155386722
7-chloro-N-[4-[2-(4-cyanophenyl)-2-oxoethyl]cyclohexyl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxamide
CID 158718270
7-chloro-N-[4-[(4-cyanobenzoyl)amino]piperidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxamide
CID 155401297
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
6-chloro-N-[1-[3-(4-chloro-3-fluorophenoxy)-2-oxopropyl]piperidin-4-yl]quinoline-2-carboxamide
CID 158469591
7-chloro-1-cyclopropyl-N-[4-[[[4-(1,1-difluoroethoxy)benzoyl]amino]methyl]cyclohexyl]-6-fluoro-4-oxoquinoline-3-carboxamide;7-chloro-1-cyclopropyl-N-[4-[2-[4-(1,1-difluoroethoxy)phenyl]-2-oxoethyl]cyclohexyl]-6-fluoro-4-oxoquinoline-3-carboxamide;7-chloro-1-cyclopropyl-N-[4-[[[2-[4-(1,1-difluoroethyl)phenoxy]acetyl]amino]methyl]cyclohexyl]-6-fluoro-4-oxoquinoline-3-carboxamide;7-chloro-1-cyclopropyl-N-[4-[3-[4-(1,1-difluoroethyl)phenoxy]-2-oxopropyl]cyclohexyl]-6-fluoro-4-oxoquinoline-3-carboxamide;7-chloro-1-cyclopropyl-N-[4-[2-(4-ethynylphenyl)-2-oxoethyl]cyclohexyl]-6-fluoro-4-oxoquinoline-3-carboxamide
CID 164963302
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-N-[4-[[[(2R)-3-(4-chloro-3-fluorophenoxy)-2-hydroxypropyl]amino]methyl]cyclohexyl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxamide
CID 155401492
6-chloro-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]piperidin-1-yl]quinoline-2-carboxamide
CID 146458048

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(OCC(=O)CC2CCC(NC(=O)c3cn(C4CC4)c4cc(Cl)c(F)cc4c3=O)CC2)cc1.Cc1ccc2nc(C(=O)CC3CCN(NC(=O)c4cn(C5CC5)c5cc(Cl)c(F)cc5c4=O)CC3)ccc2c1.Cc1ccc2nc(C(=O)CN3CCC(NC(=O)c4cn(C5CC5)c5cc(Cl)c(F)cc5c4=O)CC3)ccc2c1.
What is the InChIKey of 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?
The InChIKey is PMRJGKIFWDTGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C30H28ClFN4O3.C29H30ClFN2O4/c1-17-2-6-25-19(12-17)3-7-26(33-25)28(37)13-18-8-10-35(11-9-18)34-30(39)22-16-36(20-4-5-20)27-15-23(31)24(32)14-21(27)29(22)38;1-17-2-6-25-18(12-17)3-7-26(34-25)28(37)16-35-10-8-19(9-11-35)33-30(39)22-15-36(20-4-5-20)27-14-23(31)24(32)13-21(27)29(22)38;1-17-2-10-22(11-3-17)37-16-21(34)12-18-4-6-19(7-5-18)32-29(36)24-15-33(20-8-9-20)27-14-25(30)26(31)13-23(27)28(24)35/h2-3,6-7,12,14-16,18,20H,4-5,8-11,13H2,1H3,(H,34,39);2-3,6-7,12-15,19-20H,4-5,8-11,16H2,1H3,(H,33,39);2-3,10-11,13-15,18-20H,4-9,12,16H2,1H3,(H,32,36).
What are the key properties of 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?
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 has a molecular weight of 1619.08 g/mol, XLogP of 16.44, 20 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 165049938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).