1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide

C27H25ClN4O2 — CID 17038149

IUPAC1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCc1cccnc1)C1CCCN(c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)C1
InChIInChI=1S/C27H25ClN4O2/c28-21-10-11-23-22(14-21)24(19-7-2-1-3-8-19)25(27(34)31-23)32-13-5-9-20(17-32)26(33)30-16-18-6-4-12-29-15-18/h1-4,6-8,10-12,14-15,20H,5,9,13,16-17H2,(H,30,33)(H,31,34)
InChIKeyIWBHMRTULPLNNJ-UHFFFAOYSA-N
MW472.98 g/mol
LogP4.78
Rot. Bonds5

About 1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide

1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide (PubChem CID 17038149) has the molecular formula C27H25ClN4O2 and a molecular weight of 472.98 g/mol. Its IUPAC name is 1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
PubChem CID17038149
Molecular FormulaC27H25ClN4O2
Molecular Weight472.98 g/mol
Exact Mass472.17
IUPAC Name1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCc1cccnc1)C1CCCN(c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)C1
InChIInChI=1S/C27H25ClN4O2/c28-21-10-11-23-22(14-21)24(19-7-2-1-3-8-19)25(27(34)31-23)32-13-5-9-20(17-32)26(33)30-16-18-6-4-12-29-15-18/h1-4,6-8,10-12,14-15,20H,5,9,13,16-17H2,(H,30,33)(H,31,34)
InChIKeyIWBHMRTULPLNNJ-UHFFFAOYSA-N
XLogP4.78
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.98
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-phenylpiperidine-3-carboxamide
CID 40814784
6-chloro-4-phenyl-3-[(3R)-3-(piperidine-1-carbonyl)piperidin-1-yl]-1H-quinolin-2-one
CID 40816906
1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-cyclohexylpiperidine-3-carboxamide
CID 4874001
1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-cycloheptylpiperidine-3-carboxamide
CID 4874002
1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-naphthalen-1-ylpiperidine-3-carboxamide
CID 4873996
(3S)-1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide
CID 92823408
(3R)-1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-[3-(diethylamino)propyl]piperidine-3-carboxamide
CID 40816876
6-chloro-3-[(3S)-3-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-4-phenyl-1H-quinolin-2-one
CID 40816912
6-chloro-3-[(3S)-3-[(2R)-2-methylpiperidine-1-carbonyl]piperidin-1-yl]-4-phenyl-1H-quinolin-2-one
CID 40816909
(3S)-1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-(2,4-dimethylphenyl)piperidine-3-carboxamide
CID 41090197
1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 4873987
(3R)-1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 95115108

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of 1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide (CID 17038149) is 1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide is O=C(NCc1cccnc1)C1CCCN(c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)C1.
What is the InChIKey of 1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide?
The InChIKey is IWBHMRTULPLNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25ClN4O2/c28-21-10-11-23-22(14-21)24(19-7-2-1-3-8-19)25(27(34)31-23)32-13-5-9-20(17-32)26(33)30-16-18-6-4-12-29-15-18/h1-4,6-8,10-12,14-15,20H,5,9,13,16-17H2,(H,30,33)(H,31,34).
What are the key properties of 1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide?
1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide has a molecular weight of 472.98 g/mol, XLogP of 4.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 17038149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).