1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-naphthalen-1-ylpiperidine-3-carboxamide

C31H26ClN3O2 — CID 4873996

IUPAC1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-naphthalen-1-ylpiperidine-3-carboxamide
SMILESO=C(Nc1cccc2ccccc12)C1CCCN(c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)C1
InChIInChI=1S/C31H26ClN3O2/c32-23-15-16-27-25(18-23)28(21-9-2-1-3-10-21)29(31(37)34-27)35-17-7-12-22(19-35)30(36)33-26-14-6-11-20-8-4-5-13-24(20)26/h1-6,8-11,13-16,18,22H,7,12,17,19H2,(H,33,36)(H,34,37)
InChIKeyGUIROPLOBAIANA-UHFFFAOYSA-N
MW508.02 g/mol
LogP6.86
Rot. Bonds4

About 1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-naphthalen-1-ylpiperidine-3-carboxamide

1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-naphthalen-1-ylpiperidine-3-carboxamide (PubChem CID 4873996) has the molecular formula C31H26ClN3O2 and a molecular weight of 508.02 g/mol. Its IUPAC name is 1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-naphthalen-1-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-naphthalen-1-ylpiperidine-3-carboxamide
PubChem CID4873996
Molecular FormulaC31H26ClN3O2
Molecular Weight508.02 g/mol
Exact Mass507.17
IUPAC Name1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-naphthalen-1-ylpiperidine-3-carboxamide
SMILESO=C(Nc1cccc2ccccc12)C1CCCN(c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)C1
InChIInChI=1S/C31H26ClN3O2/c32-23-15-16-27-25(18-23)28(21-9-2-1-3-10-21)29(31(37)34-27)35-17-7-12-22(19-35)30(36)33-26-14-6-11-20-8-4-5-13-24(20)26/h1-6,8-11,13-16,18,22H,7,12,17,19H2,(H,33,36)(H,34,37)
InChIKeyGUIROPLOBAIANA-UHFFFAOYSA-N
XLogP6.86
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.02
LogP ≤ 56.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-phenylpiperidine-3-carboxamide
CID 40814784
(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-cycloheptylpiperidine-3-carboxamide
CID 4874002
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-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 4873987
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-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 17038149
(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
1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-naphthalen-1-ylpiperidine-3-carboxamide
CID 121070412

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-naphthalen-1-ylpiperidine-3-carboxamide?
The IUPAC name of 1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-naphthalen-1-ylpiperidine-3-carboxamide (CID 4873996) is 1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-naphthalen-1-ylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-naphthalen-1-ylpiperidine-3-carboxamide?
The canonical SMILES for 1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-naphthalen-1-ylpiperidine-3-carboxamide is O=C(Nc1cccc2ccccc12)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-naphthalen-1-ylpiperidine-3-carboxamide?
The InChIKey is GUIROPLOBAIANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26ClN3O2/c32-23-15-16-27-25(18-23)28(21-9-2-1-3-10-21)29(31(37)34-27)35-17-7-12-22(19-35)30(36)33-26-14-6-11-20-8-4-5-13-24(20)26/h1-6,8-11,13-16,18,22H,7,12,17,19H2,(H,33,36)(H,34,37).
What are the key properties of 1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-naphthalen-1-ylpiperidine-3-carboxamide?
1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-naphthalen-1-ylpiperidine-3-carboxamide has a molecular weight of 508.02 g/mol, XLogP of 6.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-naphthalen-1-ylpiperidine-3-carboxamide is sourced from PubChem (CID 4873996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).