(4R)-6-methoxy-4-(4-pyridin-4-ylpiperidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one

C21H23N3O3 — CID 97110676

IUPAC(4R)-6-methoxy-4-(4-pyridin-4-ylpiperidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1ccc2c(c1)[C@H](C(=O)N1CCC(c3ccncc3)CC1)CC(=O)N2
InChIInChI=1S/C21H23N3O3/c1-27-16-2-3-19-17(12-16)18(13-20(25)23-19)21(26)24-10-6-15(7-11-24)14-4-8-22-9-5-14/h2-5,8-9,12,15,18H,6-7,10-11,13H2,1H3,(H,23,25)/t18-/m1/s1
InChIKeyFWKCHEUDNMSRFX-GOSISDBHSA-N
MW365.43 g/mol
LogP2.92
Rot. Bonds3

About (4R)-6-methoxy-4-(4-pyridin-4-ylpiperidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one

(4R)-6-methoxy-4-(4-pyridin-4-ylpiperidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 97110676) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is (4R)-6-methoxy-4-(4-pyridin-4-ylpiperidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name(4R)-6-methoxy-4-(4-pyridin-4-ylpiperidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID97110676
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name(4R)-6-methoxy-4-(4-pyridin-4-ylpiperidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1ccc2c(c1)[C@H](C(=O)N1CCC(c3ccncc3)CC1)CC(=O)N2
InChIInChI=1S/C21H23N3O3/c1-27-16-2-3-19-17(12-16)18(13-20(25)23-19)21(26)24-10-6-15(7-11-24)14-4-8-22-9-5-14/h2-5,8-9,12,15,18H,6-7,10-11,13H2,1H3,(H,23,25)/t18-/m1/s1
InChIKeyFWKCHEUDNMSRFX-GOSISDBHSA-N
XLogP2.92
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4R)-6-methoxy-4-(4-pyridin-4-ylpiperidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one with MolForge

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Launch Full Analysis

Related Compounds

6-methoxy-4-(4-methyl-1,4-diazepane-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 70777457
4-(7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-6-methoxy-3,4-dihydro-1H-quinolin-2-one
CID 70749955
(4S)-6-fluoro-4-(4-pyridin-4-ylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 97130056
ethyl 4-[[(4S)-6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]amino]piperidine-1-carboxylate
CID 97124904
N-butyl-6-methoxy-2-oxo-N-(pyridin-4-ylmethyl)-3,4-dihydro-1H-quinoline-4-carboxamide
CID 74244678
4-hydroxy-6-methoxy-3,4-dihydro-1H-quinolin-2-one
CID 130007478
N-[2-(1H-imidazol-5-yl)ethyl]-6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 70767350
6-methoxy-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 70752855
(4S)-4-[4-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 95128317
1'-(6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)spiro[2-oxa-6,7,8,13-tetrazatricyclo[14.2.2.16,9]henicosa-1(19),7,9(21),16(20),17-pentaene-11,4'-piperidine]-12-one
CID 131942407
6-methoxy-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 70758337
(6-methoxy-1-benzofuran-2-yl)-(4-pyridin-4-ylpiperidin-1-yl)methanone
CID 171781643

Frequently Asked Questions

What is the IUPAC name of (4R)-6-methoxy-4-(4-pyridin-4-ylpiperidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of (4R)-6-methoxy-4-(4-pyridin-4-ylpiperidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one (CID 97110676) is (4R)-6-methoxy-4-(4-pyridin-4-ylpiperidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for (4R)-6-methoxy-4-(4-pyridin-4-ylpiperidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for (4R)-6-methoxy-4-(4-pyridin-4-ylpiperidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one is COc1ccc2c(c1)[C@H](C(=O)N1CCC(c3ccncc3)CC1)CC(=O)N2.
What is the InChIKey of (4R)-6-methoxy-4-(4-pyridin-4-ylpiperidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is FWKCHEUDNMSRFX-GOSISDBHSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-27-16-2-3-19-17(12-16)18(13-20(25)23-19)21(26)24-10-6-15(7-11-24)14-4-8-22-9-5-14/h2-5,8-9,12,15,18H,6-7,10-11,13H2,1H3,(H,23,25)/t18-/m1/s1.
What are the key properties of (4R)-6-methoxy-4-(4-pyridin-4-ylpiperidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one?
(4R)-6-methoxy-4-(4-pyridin-4-ylpiperidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 365.43 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-methoxy-4-(4-pyridin-4-ylpiperidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 97110676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).