4-(2-chlorophenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one

C17H16ClNO3 — CID 2997112

IUPAC4-(2-chlorophenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1cc2c(c(OC)c1)C(c1ccccc1Cl)CC(=O)N2
InChIInChI=1S/C17H16ClNO3/c1-21-10-7-14-17(15(8-10)22-2)12(9-16(20)19-14)11-5-3-4-6-13(11)18/h3-8,12H,9H2,1-2H3,(H,19,20)
InChIKeySWJCKYMUNHVECJ-UHFFFAOYSA-N
MW317.77 g/mol
LogP3.83
Rot. Bonds3

About 4-(2-chlorophenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one

4-(2-chlorophenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one (PubChem CID 2997112) has the molecular formula C17H16ClNO3 and a molecular weight of 317.77 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name4-(2-chlorophenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
PubChem CID2997112
Molecular FormulaC17H16ClNO3
Molecular Weight317.77 g/mol
Exact Mass317.08
IUPAC Name4-(2-chlorophenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1cc2c(c(OC)c1)C(c1ccccc1Cl)CC(=O)N2
InChIInChI=1S/C17H16ClNO3/c1-21-10-7-14-17(15(8-10)22-2)12(9-16(20)19-14)11-5-3-4-6-13(11)18/h3-8,12H,9H2,1-2H3,(H,19,20)
InChIKeySWJCKYMUNHVECJ-UHFFFAOYSA-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

(4R)-4-(2-ethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 7248757
4-(2-fluoro-3-methoxyphenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 169422029
(4S)-4-(2-chlorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 828521
(4R)-5,7-dimethoxy-4-(4-methoxyphenyl)-3,4-dihydro-1H-quinolin-2-one
CID 7248901
4-(2-chlorophenyl)-7-methoxy-6-methyl-3,4-dihydro-1H-quinolin-2-one
CID 169419884
5,7-dimethoxy-4-(4-propan-2-ylphenyl)-3,4-dihydro-1H-quinolin-2-one
CID 17312453
4-(4-bromophenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 17312450
(4S)-4-(3,5-difluorophenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 40645350
(4R)-4-(3-ethenylphenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 95119643
4-(3-bromo-4-methylphenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 17312454
(4R)-4-(2-chlorophenyl)-6-methyl-3,4-dihydro-1H-quinolin-2-one
CID 878755
4-(hydroxymethyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 84628790

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 4-(2-chlorophenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one (CID 2997112) is 4-(2-chlorophenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 4-(2-chlorophenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 4-(2-chlorophenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one is COc1cc2c(c(OC)c1)C(c1ccccc1Cl)CC(=O)N2.
What is the InChIKey of 4-(2-chlorophenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is SWJCKYMUNHVECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO3/c1-21-10-7-14-17(15(8-10)22-2)12(9-16(20)19-14)11-5-3-4-6-13(11)18/h3-8,12H,9H2,1-2H3,(H,19,20).
What are the key properties of 4-(2-chlorophenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one?
4-(2-chlorophenyl)-5,7-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 4-(2-chlorophenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 2997112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).