1-(4-chlorophenyl)-7-hydroxy-6-methoxy-2-(2-methoxy-4-methylphenyl)-1,4-dihydroisoquinolin-3-one

C24H22ClNO4 — CID 58438111

IUPAC1-(4-chlorophenyl)-7-hydroxy-6-methoxy-2-(2-methoxy-4-methylphenyl)-1,4-dihydroisoquinolin-3-one
SMILESCOc1cc2c(cc1O)C(c1ccc(Cl)cc1)N(c1ccc(C)cc1OC)C(=O)C2
InChIInChI=1S/C24H22ClNO4/c1-14-4-9-19(21(10-14)29-2)26-23(28)12-16-11-22(30-3)20(27)13-18(16)24(26)15-5-7-17(25)8-6-15/h4-11,13,24,27H,12H2,1-3H3
InChIKeyDNVMPYOXUCKMRX-UHFFFAOYSA-N
MW423.90 g/mol
LogP5.05
Rot. Bonds4

About 1-(4-chlorophenyl)-7-hydroxy-6-methoxy-2-(2-methoxy-4-methylphenyl)-1,4-dihydroisoquinolin-3-one

1-(4-chlorophenyl)-7-hydroxy-6-methoxy-2-(2-methoxy-4-methylphenyl)-1,4-dihydroisoquinolin-3-one (PubChem CID 58438111) has the molecular formula C24H22ClNO4 and a molecular weight of 423.90 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-7-hydroxy-6-methoxy-2-(2-methoxy-4-methylphenyl)-1,4-dihydroisoquinolin-3-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-7-hydroxy-6-methoxy-2-(2-methoxy-4-methylphenyl)-1,4-dihydroisoquinolin-3-one
PubChem CID58438111
Molecular FormulaC24H22ClNO4
Molecular Weight423.90 g/mol
Exact Mass423.12
IUPAC Name1-(4-chlorophenyl)-7-hydroxy-6-methoxy-2-(2-methoxy-4-methylphenyl)-1,4-dihydroisoquinolin-3-one
SMILESCOc1cc2c(cc1O)C(c1ccc(Cl)cc1)N(c1ccc(C)cc1OC)C(=O)C2
InChIInChI=1S/C24H22ClNO4/c1-14-4-9-19(21(10-14)29-2)26-23(28)12-16-11-22(30-3)20(27)13-18(16)24(26)15-5-7-17(25)8-6-15/h4-11,13,24,27H,12H2,1-3H3
InChIKeyDNVMPYOXUCKMRX-UHFFFAOYSA-N
XLogP5.05
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.90
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-chlorophenyl)-7-hydroxy-6-methoxy-2-(2-methoxy-4-methylphenyl)-1,4-dihydroisoquinolin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-chlorophenyl)-2-[4-(dimethylamino)phenyl]-7-hydroxy-6-methoxy-1,4-dihydroisoquinolin-3-one
CID 58438078
1-(4-chlorophenyl)-6,7-diethoxy-2-[4-methyl-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1,4-dihydroisoquinolin-3-one
CID 53261722
1-(4-chlorophenyl)-6,7-diethoxy-2-[4-methyl-2-(2-morpholin-4-ylethoxy)phenyl]-1,4-dihydroisoquinolin-3-one
CID 53262653
1-(4-chlorophenyl)-6,7-diethoxy-2-[4-methyl-2-(3-morpholin-4-ylpropoxy)phenyl]-1,4-dihydroisoquinolin-3-one
CID 58437764
6-aminooxy-1-(4-chlorophenyl)-7-methoxy-2-(4-methoxyphenyl)-1,4-dihydroisoquinolin-3-one
CID 90464049
(1R)-2-(4-chlorophenyl)-6,7-diethoxy-1-(4-methoxyphenyl)-1,4-dihydroisoquinolin-3-one
CID 2037455
1-(4-chlorophenyl)-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
CID 23757267
N-[1-[4-[1-(4-chlorophenyl)-7-hydroxy-6-methoxy-3-oxo-1,4-dihydroisoquinolin-2-yl]phenyl]ethyl]-N-(cyclopentylmethyl)acetamide
CID 123730975
(1S)-1-(4-chlorophenyl)-2-[4-[[4-(dimethylamino)cyclohexyl]methyl-methylamino]-2-methoxyphenyl]-6-methoxy-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one
CID 58437818
6,7-dimethoxy-1-(4-methoxyphenyl)-2-(2-methylphenyl)-1,4-dihydroisoquinolin-3-one
CID 5337076
(1S)-1-(4-chlorophenyl)-2-[4-[[4-(dimethylamino)cyclohexyl]methyl-methylamino]-2-methoxyphenyl]-6-methoxy-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one;ethanesulfonic acid
CID 158873235
2-(3-chlorophenyl)-1-(4-chlorophenyl)-6,7-diethoxy-1,4-dihydroisoquinolin-3-one
CID 122185911

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-7-hydroxy-6-methoxy-2-(2-methoxy-4-methylphenyl)-1,4-dihydroisoquinolin-3-one?
The IUPAC name of 1-(4-chlorophenyl)-7-hydroxy-6-methoxy-2-(2-methoxy-4-methylphenyl)-1,4-dihydroisoquinolin-3-one (CID 58438111) is 1-(4-chlorophenyl)-7-hydroxy-6-methoxy-2-(2-methoxy-4-methylphenyl)-1,4-dihydroisoquinolin-3-one.
What is the SMILES notation for 1-(4-chlorophenyl)-7-hydroxy-6-methoxy-2-(2-methoxy-4-methylphenyl)-1,4-dihydroisoquinolin-3-one?
The canonical SMILES for 1-(4-chlorophenyl)-7-hydroxy-6-methoxy-2-(2-methoxy-4-methylphenyl)-1,4-dihydroisoquinolin-3-one is COc1cc2c(cc1O)C(c1ccc(Cl)cc1)N(c1ccc(C)cc1OC)C(=O)C2.
What is the InChIKey of 1-(4-chlorophenyl)-7-hydroxy-6-methoxy-2-(2-methoxy-4-methylphenyl)-1,4-dihydroisoquinolin-3-one?
The InChIKey is DNVMPYOXUCKMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClNO4/c1-14-4-9-19(21(10-14)29-2)26-23(28)12-16-11-22(30-3)20(27)13-18(16)24(26)15-5-7-17(25)8-6-15/h4-11,13,24,27H,12H2,1-3H3.
What are the key properties of 1-(4-chlorophenyl)-7-hydroxy-6-methoxy-2-(2-methoxy-4-methylphenyl)-1,4-dihydroisoquinolin-3-one?
1-(4-chlorophenyl)-7-hydroxy-6-methoxy-2-(2-methoxy-4-methylphenyl)-1,4-dihydroisoquinolin-3-one has a molecular weight of 423.90 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-7-hydroxy-6-methoxy-2-(2-methoxy-4-methylphenyl)-1,4-dihydroisoquinolin-3-one is sourced from PubChem (CID 58438111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).