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

C26H28ClN3O2 — CID 40816906

IUPAC6-chloro-4-phenyl-3-[(3R)-3-(piperidine-1-carbonyl)piperidin-1-yl]-1H-quinolin-2-one
SMILESO=C([C@@H]1CCCN(c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)C1)N1CCCCC1
InChIInChI=1S/C26H28ClN3O2/c27-20-11-12-22-21(16-20)23(18-8-3-1-4-9-18)24(25(31)28-22)30-15-7-10-19(17-30)26(32)29-13-5-2-6-14-29/h1,3-4,8-9,11-12,16,19H,2,5-7,10,13-15,17H2,(H,28,31)/t19-/m1/s1
InChIKeyARDNVLNUUVFXKI-LJQANCHMSA-N
MW449.98 g/mol
LogP5.08
Rot. Bonds3

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

6-chloro-4-phenyl-3-[(3R)-3-(piperidine-1-carbonyl)piperidin-1-yl]-1H-quinolin-2-one (PubChem CID 40816906) has the molecular formula C26H28ClN3O2 and a molecular weight of 449.98 g/mol. Its IUPAC name is 6-chloro-4-phenyl-3-[(3R)-3-(piperidine-1-carbonyl)piperidin-1-yl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-chloro-4-phenyl-3-[(3R)-3-(piperidine-1-carbonyl)piperidin-1-yl]-1H-quinolin-2-one
PubChem CID40816906
Molecular FormulaC26H28ClN3O2
Molecular Weight449.98 g/mol
Exact Mass449.19
IUPAC Name6-chloro-4-phenyl-3-[(3R)-3-(piperidine-1-carbonyl)piperidin-1-yl]-1H-quinolin-2-one
SMILESO=C([C@@H]1CCCN(c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)C1)N1CCCCC1
InChIInChI=1S/C26H28ClN3O2/c27-20-11-12-22-21(16-20)23(18-8-3-1-4-9-18)24(25(31)28-22)30-15-7-10-19(17-30)26(32)29-13-5-2-6-14-29/h1,3-4,8-9,11-12,16,19H,2,5-7,10,13-15,17H2,(H,28,31)/t19-/m1/s1
InChIKeyARDNVLNUUVFXKI-LJQANCHMSA-N
XLogP5.08
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.98
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

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-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
(3R)-1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-phenylpiperidine-3-carboxamide
CID 40814784
6-chloro-4-phenyl-3-pyrrolidin-1-yl-1H-quinolin-2-one
CID 715752
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
(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
(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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-phenyl-3-[(3R)-3-(piperidine-1-carbonyl)piperidin-1-yl]-1H-quinolin-2-one?
The IUPAC name of 6-chloro-4-phenyl-3-[(3R)-3-(piperidine-1-carbonyl)piperidin-1-yl]-1H-quinolin-2-one (CID 40816906) is 6-chloro-4-phenyl-3-[(3R)-3-(piperidine-1-carbonyl)piperidin-1-yl]-1H-quinolin-2-one.
What is the SMILES notation for 6-chloro-4-phenyl-3-[(3R)-3-(piperidine-1-carbonyl)piperidin-1-yl]-1H-quinolin-2-one?
The canonical SMILES for 6-chloro-4-phenyl-3-[(3R)-3-(piperidine-1-carbonyl)piperidin-1-yl]-1H-quinolin-2-one is O=C([C@@H]1CCCN(c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)C1)N1CCCCC1.
What is the InChIKey of 6-chloro-4-phenyl-3-[(3R)-3-(piperidine-1-carbonyl)piperidin-1-yl]-1H-quinolin-2-one?
The InChIKey is ARDNVLNUUVFXKI-LJQANCHMSA-N. The full InChI is InChI=1S/C26H28ClN3O2/c27-20-11-12-22-21(16-20)23(18-8-3-1-4-9-18)24(25(31)28-22)30-15-7-10-19(17-30)26(32)29-13-5-2-6-14-29/h1,3-4,8-9,11-12,16,19H,2,5-7,10,13-15,17H2,(H,28,31)/t19-/m1/s1.
What are the key properties of 6-chloro-4-phenyl-3-[(3R)-3-(piperidine-1-carbonyl)piperidin-1-yl]-1H-quinolin-2-one?
6-chloro-4-phenyl-3-[(3R)-3-(piperidine-1-carbonyl)piperidin-1-yl]-1H-quinolin-2-one has a molecular weight of 449.98 g/mol, XLogP of 5.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-phenyl-3-[(3R)-3-(piperidine-1-carbonyl)piperidin-1-yl]-1H-quinolin-2-one is sourced from PubChem (CID 40816906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).