(4R)-4-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one

C27H27N3O2 — CID 125003710

IUPAC(4R)-4-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCc1cc(-c2ccccc2)cc([C@H]2CCCN(C(=O)[C@@H]3CC(=O)Nc4ccccc43)C2)n1
InChIInChI=1S/C27H27N3O2/c1-18-14-21(19-8-3-2-4-9-19)15-25(28-18)20-10-7-13-30(17-20)27(32)23-16-26(31)29-24-12-6-5-11-22(23)24/h2-6,8-9,11-12,14-15,20,23H,7,10,13,16-17H2,1H3,(H,29,31)/t20-,23+/m0/s1
InChIKeySTJWIMAKOUQDPQ-NZQKXSOJSA-N
MW425.53 g/mol
LogP4.89
Rot. Bonds3

About (4R)-4-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one

(4R)-4-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 125003710) has the molecular formula C27H27N3O2 and a molecular weight of 425.53 g/mol. Its IUPAC name is (4R)-4-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name(4R)-4-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID125003710
Molecular FormulaC27H27N3O2
Molecular Weight425.53 g/mol
Exact Mass425.21
IUPAC Name(4R)-4-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCc1cc(-c2ccccc2)cc([C@H]2CCCN(C(=O)[C@@H]3CC(=O)Nc4ccccc43)C2)n1
InChIInChI=1S/C27H27N3O2/c1-18-14-21(19-8-3-2-4-9-19)15-25(28-18)20-10-7-13-30(17-20)27(32)23-16-26(31)29-24-12-6-5-11-22(23)24/h2-6,8-9,11-12,14-15,20,23H,7,10,13,16-17H2,1H3,(H,29,31)/t20-,23+/m0/s1
InChIKeySTJWIMAKOUQDPQ-NZQKXSOJSA-N
XLogP4.89
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of (4R)-4-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one (CID 125003710) is (4R)-4-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for (4R)-4-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for (4R)-4-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one is Cc1cc(-c2ccccc2)cc([C@H]2CCCN(C(=O)[C@@H]3CC(=O)Nc4ccccc43)C2)n1.
What is the InChIKey of (4R)-4-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is STJWIMAKOUQDPQ-NZQKXSOJSA-N. The full InChI is InChI=1S/C27H27N3O2/c1-18-14-21(19-8-3-2-4-9-19)15-25(28-18)20-10-7-13-30(17-20)27(32)23-16-26(31)29-24-12-6-5-11-22(23)24/h2-6,8-9,11-12,14-15,20,23H,7,10,13,16-17H2,1H3,(H,29,31)/t20-,23+/m0/s1.
What are the key properties of (4R)-4-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one?
(4R)-4-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 425.53 g/mol, XLogP of 4.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 125003710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).