7-chloro-N-[4-[(4-cyanobenzoyl)amino]piperidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxamide

C26H23ClFN5O3 — CID 155401297

IUPAC7-chloro-N-[4-[(4-cyanobenzoyl)amino]piperidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxamide
SMILESN#Cc1ccc(C(=O)NC2CCN(NC(=O)c3cn(C4CC4)c4cc(Cl)c(F)cc4c3=O)CC2)cc1
InChIInChI=1S/C26H23ClFN5O3/c27-21-12-23-19(11-22(21)28)24(34)20(14-33(23)18-5-6-18)26(36)31-32-9-7-17(8-10-32)30-25(35)16-3-1-15(13-29)2-4-16/h1-4,11-12,14,17-18H,5-10H2,(H,30,35)(H,31,36)
InChIKeyMRJGSEZRCCSEAB-UHFFFAOYSA-N
MW507.95 g/mol
LogP3.54
Rot. Bonds5

About 7-chloro-N-[4-[(4-cyanobenzoyl)amino]piperidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxamide

7-chloro-N-[4-[(4-cyanobenzoyl)amino]piperidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxamide (PubChem CID 155401297) has the molecular formula C26H23ClFN5O3 and a molecular weight of 507.95 g/mol. Its IUPAC name is 7-chloro-N-[4-[(4-cyanobenzoyl)amino]piperidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name7-chloro-N-[4-[(4-cyanobenzoyl)amino]piperidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxamide
PubChem CID155401297
Molecular FormulaC26H23ClFN5O3
Molecular Weight507.95 g/mol
Exact Mass507.15
IUPAC Name7-chloro-N-[4-[(4-cyanobenzoyl)amino]piperidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxamide
SMILESN#Cc1ccc(C(=O)NC2CCN(NC(=O)c3cn(C4CC4)c4cc(Cl)c(F)cc4c3=O)CC2)cc1
InChIInChI=1S/C26H23ClFN5O3/c27-21-12-23-19(11-22(21)28)24(34)20(14-33(23)18-5-6-18)26(36)31-32-9-7-17(8-10-32)30-25(35)16-3-1-15(13-29)2-4-16/h1-4,11-12,14,17-18H,5-10H2,(H,30,35)(H,31,36)
InChIKeyMRJGSEZRCCSEAB-UHFFFAOYSA-N
XLogP3.54
TPSA107.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.95
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-chloro-N-[4-[(4-cyanobenzoyl)amino]piperidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxamide with MolForge

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Related Compounds

7-chloro-N-[4-[2-(4-cyanophenyl)-2-oxoethyl]cyclohexyl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxamide
CID 158718270
7-[4-[(4-chlorobenzoyl)amino]piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 166594936
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-(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-[4-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide
CID 155401502
6-chloro-1-cyclopropyl-7-fluoro-4-oxoquinoline-3-carboxylic acid
CID 22277610
7-chloro-1-cyclopropyl-6-fluoro-4-oxo-N-(1H-pyrrol-2-ylmethyl)quinoline-3-carboxamide
CID 99581512
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-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-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
3-acetyl-1-cyclopropyl-6,7-difluoroquinolin-4-one
CID 59099816

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[4-[(4-cyanobenzoyl)amino]piperidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxamide?
The IUPAC name of 7-chloro-N-[4-[(4-cyanobenzoyl)amino]piperidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxamide (CID 155401297) is 7-chloro-N-[4-[(4-cyanobenzoyl)amino]piperidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxamide.
What is the SMILES notation for 7-chloro-N-[4-[(4-cyanobenzoyl)amino]piperidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxamide?
The canonical SMILES for 7-chloro-N-[4-[(4-cyanobenzoyl)amino]piperidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxamide is N#Cc1ccc(C(=O)NC2CCN(NC(=O)c3cn(C4CC4)c4cc(Cl)c(F)cc4c3=O)CC2)cc1.
What is the InChIKey of 7-chloro-N-[4-[(4-cyanobenzoyl)amino]piperidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxamide?
The InChIKey is MRJGSEZRCCSEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClFN5O3/c27-21-12-23-19(11-22(21)28)24(34)20(14-33(23)18-5-6-18)26(36)31-32-9-7-17(8-10-32)30-25(35)16-3-1-15(13-29)2-4-16/h1-4,11-12,14,17-18H,5-10H2,(H,30,35)(H,31,36).
What are the key properties of 7-chloro-N-[4-[(4-cyanobenzoyl)amino]piperidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxamide?
7-chloro-N-[4-[(4-cyanobenzoyl)amino]piperidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxamide has a molecular weight of 507.95 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[4-[(4-cyanobenzoyl)amino]piperidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxamide is sourced from PubChem (CID 155401297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).