6-chloro-3-[(3S)-3-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-4-phenyl-1H-quinolin-2-one

C27H30ClN3O2 — CID 40816912

IUPAC6-chloro-3-[(3S)-3-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-4-phenyl-1H-quinolin-2-one
SMILESCC1CCN(C(=O)[C@H]2CCCN(c3c(-c4ccccc4)c4cc(Cl)ccc4[nH]c3=O)C2)CC1
InChIInChI=1S/C27H30ClN3O2/c1-18-11-14-30(15-12-18)27(33)20-8-5-13-31(17-20)25-24(19-6-3-2-4-7-19)22-16-21(28)9-10-23(22)29-26(25)32/h2-4,6-7,9-10,16,18,20H,5,8,11-15,17H2,1H3,(H,29,32)/t20-/m0/s1
InChIKeyLYDLMQHNVHPHAH-FQEVSTJZSA-N
MW464.01 g/mol
LogP5.32
Rot. Bonds3

About 6-chloro-3-[(3S)-3-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-4-phenyl-1H-quinolin-2-one

6-chloro-3-[(3S)-3-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-4-phenyl-1H-quinolin-2-one (PubChem CID 40816912) has the molecular formula C27H30ClN3O2 and a molecular weight of 464.01 g/mol. Its IUPAC name is 6-chloro-3-[(3S)-3-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-4-phenyl-1H-quinolin-2-one.

Molecular Properties

Compound Name6-chloro-3-[(3S)-3-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-4-phenyl-1H-quinolin-2-one
PubChem CID40816912
Molecular FormulaC27H30ClN3O2
Molecular Weight464.01 g/mol
Exact Mass463.20
IUPAC Name6-chloro-3-[(3S)-3-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-4-phenyl-1H-quinolin-2-one
SMILESCC1CCN(C(=O)[C@H]2CCCN(c3c(-c4ccccc4)c4cc(Cl)ccc4[nH]c3=O)C2)CC1
InChIInChI=1S/C27H30ClN3O2/c1-18-11-14-30(15-12-18)27(33)20-8-5-13-31(17-20)25-24(19-6-3-2-4-7-19)22-16-21(28)9-10-23(22)29-26(25)32/h2-4,6-7,9-10,16,18,20H,5,8,11-15,17H2,1H3,(H,29,32)/t20-/m0/s1
InChIKeyLYDLMQHNVHPHAH-FQEVSTJZSA-N
XLogP5.32
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.01
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-chloro-3-[(3S)-3-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-4-phenyl-1H-quinolin-2-one with MolForge

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Related Compounds

6-chloro-4-phenyl-3-[(3R)-3-(piperidine-1-carbonyl)piperidin-1-yl]-1H-quinolin-2-one
CID 40816906
6-chloro-3-[(3S)-3-[(2R)-2-methylpiperidine-1-carbonyl]piperidin-1-yl]-4-phenyl-1H-quinolin-2-one
CID 40816909
(3R)-1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-phenylpiperidine-3-carboxamide
CID 40814784
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
6-chloro-4-phenyl-3-pyrrolidin-1-yl-1H-quinolin-2-one
CID 715752
(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-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 17038149
1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-naphthalen-1-ylpiperidine-3-carboxamide
CID 4873996
(3R)-1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-[3-(diethylamino)propyl]piperidine-3-carboxamide
CID 40816876
1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 4873987
(3S)-1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide
CID 92823408

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[(3S)-3-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-4-phenyl-1H-quinolin-2-one?
The IUPAC name of 6-chloro-3-[(3S)-3-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-4-phenyl-1H-quinolin-2-one (CID 40816912) is 6-chloro-3-[(3S)-3-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-4-phenyl-1H-quinolin-2-one.
What is the SMILES notation for 6-chloro-3-[(3S)-3-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-4-phenyl-1H-quinolin-2-one?
The canonical SMILES for 6-chloro-3-[(3S)-3-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-4-phenyl-1H-quinolin-2-one is CC1CCN(C(=O)[C@H]2CCCN(c3c(-c4ccccc4)c4cc(Cl)ccc4[nH]c3=O)C2)CC1.
What is the InChIKey of 6-chloro-3-[(3S)-3-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-4-phenyl-1H-quinolin-2-one?
The InChIKey is LYDLMQHNVHPHAH-FQEVSTJZSA-N. The full InChI is InChI=1S/C27H30ClN3O2/c1-18-11-14-30(15-12-18)27(33)20-8-5-13-31(17-20)25-24(19-6-3-2-4-7-19)22-16-21(28)9-10-23(22)29-26(25)32/h2-4,6-7,9-10,16,18,20H,5,8,11-15,17H2,1H3,(H,29,32)/t20-/m0/s1.
What are the key properties of 6-chloro-3-[(3S)-3-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-4-phenyl-1H-quinolin-2-one?
6-chloro-3-[(3S)-3-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-4-phenyl-1H-quinolin-2-one has a molecular weight of 464.01 g/mol, XLogP of 5.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[(3S)-3-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-4-phenyl-1H-quinolin-2-one is sourced from PubChem (CID 40816912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).