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

C27H24ClN3O2 — CID 40814784

IUPAC(3R)-1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-phenylpiperidine-3-carboxamide
SMILESO=C(Nc1ccccc1)[C@@H]1CCCN(c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)C1
InChIInChI=1S/C27H24ClN3O2/c28-20-13-14-23-22(16-20)24(18-8-3-1-4-9-18)25(27(33)30-23)31-15-7-10-19(17-31)26(32)29-21-11-5-2-6-12-21/h1-6,8-9,11-14,16,19H,7,10,15,17H2,(H,29,32)(H,30,33)/t19-/m1/s1
InChIKeyLOCAEGARXDLUHN-LJQANCHMSA-N
MW457.96 g/mol
LogP5.70
Rot. Bonds4

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

(3R)-1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-phenylpiperidine-3-carboxamide (PubChem CID 40814784) has the molecular formula C27H24ClN3O2 and a molecular weight of 457.96 g/mol. Its IUPAC name is (3R)-1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-phenylpiperidine-3-carboxamide
PubChem CID40814784
Molecular FormulaC27H24ClN3O2
Molecular Weight457.96 g/mol
Exact Mass457.16
IUPAC Name(3R)-1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-phenylpiperidine-3-carboxamide
SMILESO=C(Nc1ccccc1)[C@@H]1CCCN(c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)C1
InChIInChI=1S/C27H24ClN3O2/c28-20-13-14-23-22(16-20)24(18-8-3-1-4-9-18)25(27(33)30-23)31-15-7-10-19(17-31)26(32)29-21-11-5-2-6-12-21/h1-6,8-9,11-14,16,19H,7,10,15,17H2,(H,29,32)(H,30,33)/t19-/m1/s1
InChIKeyLOCAEGARXDLUHN-LJQANCHMSA-N
XLogP5.70
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.96
LogP ≤ 55.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R)-1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-phenylpiperidine-3-carboxamide with MolForge

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Related Compounds

1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 4873987
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-(2,4-dimethylphenyl)piperidine-3-carboxamide
CID 41090197
6-chloro-4-phenyl-3-[(3R)-3-(piperidine-1-carbonyl)piperidin-1-yl]-1H-quinolin-2-one
CID 40816906
6-chloro-3-[(3S)-3-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-4-phenyl-1H-quinolin-2-one
CID 40816912
(3S)-1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide
CID 92823408
6-chloro-4-phenyl-3-pyrrolidin-1-yl-1H-quinolin-2-one
CID 715752
N-(3-chlorophenyl)-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide
CID 53107163
6-chloro-3-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-4-phenyl-1H-quinolin-2-one
CID 1421862
(3S)-N-(4-chlorophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
CID 30351128

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-phenylpiperidine-3-carboxamide?
The IUPAC name of (3R)-1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-phenylpiperidine-3-carboxamide (CID 40814784) is (3R)-1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-phenylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-phenylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-phenylpiperidine-3-carboxamide is O=C(Nc1ccccc1)[C@@H]1CCCN(c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)C1.
What is the InChIKey of (3R)-1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-phenylpiperidine-3-carboxamide?
The InChIKey is LOCAEGARXDLUHN-LJQANCHMSA-N. The full InChI is InChI=1S/C27H24ClN3O2/c28-20-13-14-23-22(16-20)24(18-8-3-1-4-9-18)25(27(33)30-23)31-15-7-10-19(17-31)26(32)29-21-11-5-2-6-12-21/h1-6,8-9,11-14,16,19H,7,10,15,17H2,(H,29,32)(H,30,33)/t19-/m1/s1.
What are the key properties of (3R)-1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-phenylpiperidine-3-carboxamide?
(3R)-1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-phenylpiperidine-3-carboxamide has a molecular weight of 457.96 g/mol, XLogP of 5.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 40814784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).