(4S)-4-(2-chlorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one

C17H16ClNO3 — CID 828521

IUPAC(4S)-4-(2-chlorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1cc2c(cc1OC)[C@@H](c1ccccc1Cl)CC(=O)N2
InChIInChI=1S/C17H16ClNO3/c1-21-15-7-12-11(10-5-3-4-6-13(10)18)8-17(20)19-14(12)9-16(15)22-2/h3-7,9,11H,8H2,1-2H3,(H,19,20)/t11-/m1/s1
InChIKeyPMWUBELNMPLVOD-LLVKDONJSA-N
MW317.77 g/mol
LogP3.83
Rot. Bonds3

About (4S)-4-(2-chlorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one

(4S)-4-(2-chlorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one (PubChem CID 828521) has the molecular formula C17H16ClNO3 and a molecular weight of 317.77 g/mol. Its IUPAC name is (4S)-4-(2-chlorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name(4S)-4-(2-chlorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
PubChem CID828521
Molecular FormulaC17H16ClNO3
Molecular Weight317.77 g/mol
Exact Mass317.08
IUPAC Name(4S)-4-(2-chlorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1cc2c(cc1OC)[C@@H](c1ccccc1Cl)CC(=O)N2
InChIInChI=1S/C17H16ClNO3/c1-21-15-7-12-11(10-5-3-4-6-13(10)18)8-17(20)19-14(12)9-16(15)22-2/h3-7,9,11H,8H2,1-2H3,(H,19,20)/t11-/m1/s1
InChIKeyPMWUBELNMPLVOD-LLVKDONJSA-N
XLogP3.83
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.77
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-chlorophenyl)-7-methoxy-6-methyl-3,4-dihydro-1H-quinolin-2-one
CID 169419884
4-(3,4-dichlorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 3158483
6,7-dimethoxy-4-phenyl-3,4-dihydro-1H-quinolin-2-one
CID 6624972
4-(2-chlorophenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 2997112
6,7-diethoxy-4-(2-methoxyphenyl)-3,4-dihydro-1H-quinolin-2-one
CID 3162399
(4R)-4-(2-chlorophenyl)-6-methyl-3,4-dihydro-1H-quinolin-2-one
CID 878755
4-(2-bromo-4,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 2955307
4-(2,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 3610231
(4R)-4-(furan-2-yl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 7248702
(4R)-6,7-dimethoxy-4-thiophen-2-yl-3,4-dihydro-1H-quinolin-2-one
CID 707556
4-(2,5-difluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 6462277
(4R)-4-(2-methoxyphenyl)-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one
CID 973947

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(2-chlorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of (4S)-4-(2-chlorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one (CID 828521) is (4S)-4-(2-chlorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for (4S)-4-(2-chlorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for (4S)-4-(2-chlorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one is COc1cc2c(cc1OC)[C@@H](c1ccccc1Cl)CC(=O)N2.
What is the InChIKey of (4S)-4-(2-chlorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is PMWUBELNMPLVOD-LLVKDONJSA-N. The full InChI is InChI=1S/C17H16ClNO3/c1-21-15-7-12-11(10-5-3-4-6-13(10)18)8-17(20)19-14(12)9-16(15)22-2/h3-7,9,11H,8H2,1-2H3,(H,19,20)/t11-/m1/s1.
What are the key properties of (4S)-4-(2-chlorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one?
(4S)-4-(2-chlorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 317.77 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(2-chlorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 828521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).