(1R)-1-(2-chlorophenyl)-6,7-dimethoxy-2,4-dihydro-1H-isoquinolin-3-one

C17H16ClNO3 — CID 743951

IUPAC(1R)-1-(2-chlorophenyl)-6,7-dimethoxy-2,4-dihydro-1H-isoquinolin-3-one
SMILESCOc1cc2c(cc1OC)[C@H](c1ccccc1Cl)NC(=O)C2
InChIInChI=1S/C17H16ClNO3/c1-21-14-7-10-8-16(20)19-17(12(10)9-15(14)22-2)11-5-3-4-6-13(11)18/h3-7,9,17H,8H2,1-2H3,(H,19,20)/t17-/m0/s1
InChIKeyFIYHROHDCSJEOB-KRWDZBQOSA-N
MW317.77 g/mol
LogP3.12
Rot. Bonds3

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

(1R)-1-(2-chlorophenyl)-6,7-dimethoxy-2,4-dihydro-1H-isoquinolin-3-one (PubChem CID 743951) has the molecular formula C17H16ClNO3 and a molecular weight of 317.77 g/mol. Its IUPAC name is (1R)-1-(2-chlorophenyl)-6,7-dimethoxy-2,4-dihydro-1H-isoquinolin-3-one.

Molecular Properties

Compound Name(1R)-1-(2-chlorophenyl)-6,7-dimethoxy-2,4-dihydro-1H-isoquinolin-3-one
PubChem CID743951
Molecular FormulaC17H16ClNO3
Molecular Weight317.77 g/mol
Exact Mass317.08
IUPAC Name(1R)-1-(2-chlorophenyl)-6,7-dimethoxy-2,4-dihydro-1H-isoquinolin-3-one
SMILESCOc1cc2c(cc1OC)[C@H](c1ccccc1Cl)NC(=O)C2
InChIInChI=1S/C17H16ClNO3/c1-21-14-7-10-8-16(20)19-17(12(10)9-15(14)22-2)11-5-3-4-6-13(11)18/h3-7,9,17H,8H2,1-2H3,(H,19,20)/t17-/m0/s1
InChIKeyFIYHROHDCSJEOB-KRWDZBQOSA-N
XLogP3.12
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 ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dichlorophenyl)-6,7-dimethoxy-2,4-dihydro-1H-isoquinolin-3-one
CID 3115380
(1R)-1-(2-chlorophenyl)-2,4-dihydro-1H-isoquinolin-3-one
CID 737010
6,7-dimethoxy-1-(4-methoxyphenyl)-2,4-dihydro-1H-isoquinolin-3-one
CID 6456492
(1R)-1-(4-ethoxyphenyl)-6,7-dimethoxy-2,4-dihydro-1H-isoquinolin-3-one
CID 2315649
(4S)-4-(2-chlorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 828521
(1S)-1-(2-chlorophenyl)-6,7-dimethoxy-2-(4-methylphenyl)-1,4-dihydroisoquinolin-3-one
CID 984276
1-(2,6-dichlorophenyl)-2,4-dihydro-1H-isoquinolin-3-one
CID 2867658
1-(4-chlorophenyl)-7-propan-2-yloxy-6-(trideuteriomethoxy)-2,4-dihydro-1H-isoquinolin-3-one
CID 58438188
[(1R)-1-(2-chlorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-phenylmethanone
CID 92770735
[(1S)-1-(2-chlorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-(4-fluorophenyl)methanone
CID 92771590
2-(2-chlorophenyl)-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine
CID 171986135
(4S)-6,7-dimethoxy-4-methyl-3,4-dihydro-1H-naphthalen-2-one
CID 129406280

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-chlorophenyl)-6,7-dimethoxy-2,4-dihydro-1H-isoquinolin-3-one?
The IUPAC name of (1R)-1-(2-chlorophenyl)-6,7-dimethoxy-2,4-dihydro-1H-isoquinolin-3-one (CID 743951) is (1R)-1-(2-chlorophenyl)-6,7-dimethoxy-2,4-dihydro-1H-isoquinolin-3-one.
What is the SMILES notation for (1R)-1-(2-chlorophenyl)-6,7-dimethoxy-2,4-dihydro-1H-isoquinolin-3-one?
The canonical SMILES for (1R)-1-(2-chlorophenyl)-6,7-dimethoxy-2,4-dihydro-1H-isoquinolin-3-one is COc1cc2c(cc1OC)[C@H](c1ccccc1Cl)NC(=O)C2.
What is the InChIKey of (1R)-1-(2-chlorophenyl)-6,7-dimethoxy-2,4-dihydro-1H-isoquinolin-3-one?
The InChIKey is FIYHROHDCSJEOB-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H16ClNO3/c1-21-14-7-10-8-16(20)19-17(12(10)9-15(14)22-2)11-5-3-4-6-13(11)18/h3-7,9,17H,8H2,1-2H3,(H,19,20)/t17-/m0/s1.
What are the key properties of (1R)-1-(2-chlorophenyl)-6,7-dimethoxy-2,4-dihydro-1H-isoquinolin-3-one?
(1R)-1-(2-chlorophenyl)-6,7-dimethoxy-2,4-dihydro-1H-isoquinolin-3-one has a molecular weight of 317.77 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-chlorophenyl)-6,7-dimethoxy-2,4-dihydro-1H-isoquinolin-3-one is sourced from PubChem (CID 743951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).