Basic information
- Standard SMILES
COc1ccc(-c2[nH]c(=O)c3cc(OC)ccc3c2O)cc1- InChIKey
MTWHAKRFBIFLGT-UHFFFAOYSA-N- Molecular formula
- C17H15NO4
- Average molar mass
- 297.3 g/mol
Names & identifiers
- Preferred name
- 4-Hydroxy-7-methoxy-3-(4-methoxyphenyl)isoquinolin-1(2H)-one
- IUPAC
- 4-hydroxy-7-methoxy-3-(4-methoxyphenyl)-2H-isoquinolin-1-one
Names & synonyms
SCHEMBL12323816MTWHAKRFBIFLGT-UHFFFAOYSA-N4-Hydroxy-7-methoxy-3-(4-methoxyphenyl)isoquinolin-1(2H)-one
Database identifiers
- PubChem CID
- 53379361
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 67.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 454
Related reactions
1 records
Compound notes
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