(4R)-6,7-dimethoxy-2-oxo-N-[(1S)-1-phenylethyl]-3,4-dihydro-1H-quinoline-4-carboxamide

C20H22N2O4 — CID 7269167

IUPAC(4R)-6,7-dimethoxy-2-oxo-N-[(1S)-1-phenylethyl]-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCOc1cc2c(cc1OC)[C@H](C(=O)N[C@@H](C)c1ccccc1)CC(=O)N2
InChIInChI=1S/C20H22N2O4/c1-12(13-7-5-4-6-8-13)21-20(24)15-10-19(23)22-16-11-18(26-3)17(25-2)9-14(15)16/h4-9,11-12,15H,10H2,1-3H3,(H,21,24)(H,22,23)/t12-,15+/m0/s1
InChIKeyOOZHDKGRQRXGFP-SWLSCSKDSA-N
MW354.41 g/mol
LogP3.01
Rot. Bonds5

About (4R)-6,7-dimethoxy-2-oxo-N-[(1S)-1-phenylethyl]-3,4-dihydro-1H-quinoline-4-carboxamide

(4R)-6,7-dimethoxy-2-oxo-N-[(1S)-1-phenylethyl]-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 7269167) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is (4R)-6,7-dimethoxy-2-oxo-N-[(1S)-1-phenylethyl]-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name(4R)-6,7-dimethoxy-2-oxo-N-[(1S)-1-phenylethyl]-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID7269167
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name(4R)-6,7-dimethoxy-2-oxo-N-[(1S)-1-phenylethyl]-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCOc1cc2c(cc1OC)[C@H](C(=O)N[C@@H](C)c1ccccc1)CC(=O)N2
InChIInChI=1S/C20H22N2O4/c1-12(13-7-5-4-6-8-13)21-20(24)15-10-19(23)22-16-11-18(26-3)17(25-2)9-14(15)16/h4-9,11-12,15H,10H2,1-3H3,(H,21,24)(H,22,23)/t12-,15+/m0/s1
InChIKeyOOZHDKGRQRXGFP-SWLSCSKDSA-N
XLogP3.01
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (4R)-6,7-dimethoxy-2-oxo-N-[(1S)-1-phenylethyl]-3,4-dihydro-1H-quinoline-4-carboxamide with MolForge

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Related Compounds

7-fluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 16598145
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 86990620
6,7-dimethoxy-4-phenyl-3,4-dihydro-1H-quinolin-2-one
CID 6624972
(4S)-7-fluoro-N-[(1S)-1-(2-fluorophenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 29421011
(4S)-N-(4-butylphenyl)-6,7-dimethoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 9430047
7-fluoro-N-[1-[4-(2-methylpropyl)phenyl]ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 46535101
2-oxo-N-(1-phenylethyl)piperidine-4-carboxamide
CID 110682047
N-(1-phenylethyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80566091
N-butan-2-yl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 4616929
7-fluoro-N-[1-(furan-2-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 18137244
2-oxo-N-pentan-2-yl-3,4-dihydro-1H-quinoline-4-carboxamide
CID 42933282
(1S)-6,7-dimethoxy-1-methyl-N-[(1R)-1-phenylethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 14504439

Frequently Asked Questions

What is the IUPAC name of (4R)-6,7-dimethoxy-2-oxo-N-[(1S)-1-phenylethyl]-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of (4R)-6,7-dimethoxy-2-oxo-N-[(1S)-1-phenylethyl]-3,4-dihydro-1H-quinoline-4-carboxamide (CID 7269167) is (4R)-6,7-dimethoxy-2-oxo-N-[(1S)-1-phenylethyl]-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for (4R)-6,7-dimethoxy-2-oxo-N-[(1S)-1-phenylethyl]-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for (4R)-6,7-dimethoxy-2-oxo-N-[(1S)-1-phenylethyl]-3,4-dihydro-1H-quinoline-4-carboxamide is COc1cc2c(cc1OC)[C@H](C(=O)N[C@@H](C)c1ccccc1)CC(=O)N2.
What is the InChIKey of (4R)-6,7-dimethoxy-2-oxo-N-[(1S)-1-phenylethyl]-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is OOZHDKGRQRXGFP-SWLSCSKDSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-12(13-7-5-4-6-8-13)21-20(24)15-10-19(23)22-16-11-18(26-3)17(25-2)9-14(15)16/h4-9,11-12,15H,10H2,1-3H3,(H,21,24)(H,22,23)/t12-,15+/m0/s1.
What are the key properties of (4R)-6,7-dimethoxy-2-oxo-N-[(1S)-1-phenylethyl]-3,4-dihydro-1H-quinoline-4-carboxamide?
(4R)-6,7-dimethoxy-2-oxo-N-[(1S)-1-phenylethyl]-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6,7-dimethoxy-2-oxo-N-[(1S)-1-phenylethyl]-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 7269167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).