6,7-dimethoxy-2-(4-methoxyphenyl)-1-phenylisoquinolin-3-one

C24H21NO4 — CID 134913131

IUPAC6,7-dimethoxy-2-(4-methoxyphenyl)-1-phenylisoquinolin-3-one
SMILESCOc1ccc(-n2c(-c3ccccc3)c3cc(OC)c(OC)cc3cc2=O)cc1
InChIInChI=1S/C24H21NO4/c1-27-19-11-9-18(10-12-19)25-23(26)14-17-13-21(28-2)22(29-3)15-20(17)24(25)16-7-5-4-6-8-16/h4-15H,1-3H3
InChIKeyLBKIELBGBGFCTO-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.68
Rot. Bonds5

About 6,7-dimethoxy-2-(4-methoxyphenyl)-1-phenylisoquinolin-3-one

6,7-dimethoxy-2-(4-methoxyphenyl)-1-phenylisoquinolin-3-one (PubChem CID 134913131) has the molecular formula C24H21NO4 and a molecular weight of 387.44 g/mol. Its IUPAC name is 6,7-dimethoxy-2-(4-methoxyphenyl)-1-phenylisoquinolin-3-one.

Molecular Properties

Compound Name6,7-dimethoxy-2-(4-methoxyphenyl)-1-phenylisoquinolin-3-one
PubChem CID134913131
Molecular FormulaC24H21NO4
Molecular Weight387.44 g/mol
Exact Mass387.15
IUPAC Name6,7-dimethoxy-2-(4-methoxyphenyl)-1-phenylisoquinolin-3-one
SMILESCOc1ccc(-n2c(-c3ccccc3)c3cc(OC)c(OC)cc3cc2=O)cc1
InChIInChI=1S/C24H21NO4/c1-27-19-11-9-18(10-12-19)25-23(26)14-17-13-21(28-2)22(29-3)15-20(17)24(25)16-7-5-4-6-8-16/h4-15H,1-3H3
InChIKeyLBKIELBGBGFCTO-UHFFFAOYSA-N
XLogP4.68
TPSA49.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chlorophenyl)-6,7-dimethoxy-2-(4-methoxyphenyl)isoquinolin-3-one
CID 134912702
1-(4-chlorophenyl)-6,7-dimethoxy-2-phenylisoquinolin-3-one
CID 134912871
3-(4-methoxyphenyl)-2-phenylquinazolin-4-one
CID 708934
2-amino-1-(4-methoxyphenyl)-6,7-bis(phenylmethoxy)isoquinolin-3-one
CID 44552274
3-(4-methoxyphenyl)-4-(4-methylphenyl)-5-phenyl-1H-imidazol-2-one
CID 24786909
4-(4-methoxyphenyl)-1-phenylquinolin-2-one
CID 166443023
4,11-dimethoxy-5,12-bis(4-methoxyphenyl)-1,8-diphenylquinolino[2,3-b]acridine-7,14-dione
CID 58669175
1-(4-methoxyphenyl)-2-methyl-3-phenylindole
CID 102459165
2-(4-methoxyphenyl)-1-(4-methylphenyl)-3,5-diphenylpyrrole
CID 12995302
2-amino-3-(4-methoxyphenyl)quinazolin-4-one
CID 71652488
6-(2,5-dimethoxyphenyl)-3-methyl-1,2-diphenylpyridin-4-one
CID 14303860
6,7-dimethoxy-1-methyl-4-phenylquinazolin-2-one
CID 158002363

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-(4-methoxyphenyl)-1-phenylisoquinolin-3-one?
The IUPAC name of 6,7-dimethoxy-2-(4-methoxyphenyl)-1-phenylisoquinolin-3-one (CID 134913131) is 6,7-dimethoxy-2-(4-methoxyphenyl)-1-phenylisoquinolin-3-one.
What is the SMILES notation for 6,7-dimethoxy-2-(4-methoxyphenyl)-1-phenylisoquinolin-3-one?
The canonical SMILES for 6,7-dimethoxy-2-(4-methoxyphenyl)-1-phenylisoquinolin-3-one is COc1ccc(-n2c(-c3ccccc3)c3cc(OC)c(OC)cc3cc2=O)cc1.
What is the InChIKey of 6,7-dimethoxy-2-(4-methoxyphenyl)-1-phenylisoquinolin-3-one?
The InChIKey is LBKIELBGBGFCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO4/c1-27-19-11-9-18(10-12-19)25-23(26)14-17-13-21(28-2)22(29-3)15-20(17)24(25)16-7-5-4-6-8-16/h4-15H,1-3H3.
What are the key properties of 6,7-dimethoxy-2-(4-methoxyphenyl)-1-phenylisoquinolin-3-one?
6,7-dimethoxy-2-(4-methoxyphenyl)-1-phenylisoquinolin-3-one has a molecular weight of 387.44 g/mol, XLogP of 4.68, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-(4-methoxyphenyl)-1-phenylisoquinolin-3-one is sourced from PubChem (CID 134913131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).