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

C24H20FNO4 — CID 134912703

IUPAC1-(4-fluorophenyl)-6,7-dimethoxy-2-(4-methoxyphenyl)isoquinolin-3-one
SMILESCOc1ccc(-n2c(-c3ccc(F)cc3)c3cc(OC)c(OC)cc3cc2=O)cc1
InChIInChI=1S/C24H20FNO4/c1-28-19-10-8-18(9-11-19)26-23(27)13-16-12-21(29-2)22(30-3)14-20(16)24(26)15-4-6-17(25)7-5-15/h4-14H,1-3H3
InChIKeyQOCAJCVKGNZYEA-UHFFFAOYSA-N
MW405.43 g/mol
LogP4.82
Rot. Bonds5

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

1-(4-fluorophenyl)-6,7-dimethoxy-2-(4-methoxyphenyl)isoquinolin-3-one (PubChem CID 134912703) has the molecular formula C24H20FNO4 and a molecular weight of 405.43 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-6,7-dimethoxy-2-(4-methoxyphenyl)isoquinolin-3-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-6,7-dimethoxy-2-(4-methoxyphenyl)isoquinolin-3-one
PubChem CID134912703
Molecular FormulaC24H20FNO4
Molecular Weight405.43 g/mol
Exact Mass405.14
IUPAC Name1-(4-fluorophenyl)-6,7-dimethoxy-2-(4-methoxyphenyl)isoquinolin-3-one
SMILESCOc1ccc(-n2c(-c3ccc(F)cc3)c3cc(OC)c(OC)cc3cc2=O)cc1
InChIInChI=1S/C24H20FNO4/c1-28-19-10-8-18(9-11-19)26-23(27)13-16-12-21(29-2)22(30-3)14-20(16)24(26)15-4-6-17(25)7-5-15/h4-14H,1-3H3
InChIKeyQOCAJCVKGNZYEA-UHFFFAOYSA-N
XLogP4.82
TPSA49.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(4-fluorophenyl)-6,7-dimethoxy-2-(4-methoxyphenyl)isoquinolin-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

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-6,7-dimethoxy-2-(4-methoxyphenyl)isoquinolin-3-one?
The IUPAC name of 1-(4-fluorophenyl)-6,7-dimethoxy-2-(4-methoxyphenyl)isoquinolin-3-one (CID 134912703) is 1-(4-fluorophenyl)-6,7-dimethoxy-2-(4-methoxyphenyl)isoquinolin-3-one.
What is the SMILES notation for 1-(4-fluorophenyl)-6,7-dimethoxy-2-(4-methoxyphenyl)isoquinolin-3-one?
The canonical SMILES for 1-(4-fluorophenyl)-6,7-dimethoxy-2-(4-methoxyphenyl)isoquinolin-3-one is COc1ccc(-n2c(-c3ccc(F)cc3)c3cc(OC)c(OC)cc3cc2=O)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-6,7-dimethoxy-2-(4-methoxyphenyl)isoquinolin-3-one?
The InChIKey is QOCAJCVKGNZYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FNO4/c1-28-19-10-8-18(9-11-19)26-23(27)13-16-12-21(29-2)22(30-3)14-20(16)24(26)15-4-6-17(25)7-5-15/h4-14H,1-3H3.
What are the key properties of 1-(4-fluorophenyl)-6,7-dimethoxy-2-(4-methoxyphenyl)isoquinolin-3-one?
1-(4-fluorophenyl)-6,7-dimethoxy-2-(4-methoxyphenyl)isoquinolin-3-one has a molecular weight of 405.43 g/mol, XLogP of 4.82, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-6,7-dimethoxy-2-(4-methoxyphenyl)isoquinolin-3-one is sourced from PubChem (CID 134912703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).