3-(2,3-dimethoxyphenyl)-4H-isoquinolin-1-one

C17H15NO3 — CID 69183555

IUPAC3-(2,3-dimethoxyphenyl)-4H-isoquinolin-1-one
SMILESCOc1cccc(C2=NC(=O)c3ccccc3C2)c1OC
InChIInChI=1S/C17H15NO3/c1-20-15-9-5-8-13(16(15)21-2)14-10-11-6-3-4-7-12(11)17(19)18-14/h3-9H,10H2,1-2H3
InChIKeyOEYOIEFAACQDGN-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.89
Rot. Bonds3

About 3-(2,3-dimethoxyphenyl)-4H-isoquinolin-1-one

3-(2,3-dimethoxyphenyl)-4H-isoquinolin-1-one (PubChem CID 69183555) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 3-(2,3-dimethoxyphenyl)-4H-isoquinolin-1-one.

Molecular Properties

Compound Name3-(2,3-dimethoxyphenyl)-4H-isoquinolin-1-one
PubChem CID69183555
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name3-(2,3-dimethoxyphenyl)-4H-isoquinolin-1-one
SMILESCOc1cccc(C2=NC(=O)c3ccccc3C2)c1OC
InChIInChI=1S/C17H15NO3/c1-20-15-9-5-8-13(16(15)21-2)14-10-11-6-3-4-7-12(11)17(19)18-14/h3-9H,10H2,1-2H3
InChIKeyOEYOIEFAACQDGN-UHFFFAOYSA-N
XLogP2.89
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(2,3-dimethoxyphenyl)-4H-isoquinolin-1-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 3-(2,3-dimethoxyphenyl)-4H-isoquinolin-1-one?
The IUPAC name of 3-(2,3-dimethoxyphenyl)-4H-isoquinolin-1-one (CID 69183555) is 3-(2,3-dimethoxyphenyl)-4H-isoquinolin-1-one.
What is the SMILES notation for 3-(2,3-dimethoxyphenyl)-4H-isoquinolin-1-one?
The canonical SMILES for 3-(2,3-dimethoxyphenyl)-4H-isoquinolin-1-one is COc1cccc(C2=NC(=O)c3ccccc3C2)c1OC.
What is the InChIKey of 3-(2,3-dimethoxyphenyl)-4H-isoquinolin-1-one?
The InChIKey is OEYOIEFAACQDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-20-15-9-5-8-13(16(15)21-2)14-10-11-6-3-4-7-12(11)17(19)18-14/h3-9H,10H2,1-2H3.
What are the key properties of 3-(2,3-dimethoxyphenyl)-4H-isoquinolin-1-one?
3-(2,3-dimethoxyphenyl)-4H-isoquinolin-1-one has a molecular weight of 281.31 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethoxyphenyl)-4H-isoquinolin-1-one is sourced from PubChem (CID 69183555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).