Basic information
- Standard SMILES
COc1ccc(Cn2ccc3cc(Br)c(Cl)cc3c2=O)cc1- InChIKey
NSWBKBQTZAJPIV-UHFFFAOYSA-N- Molecular formula
- C17H13BrClNO2
- Average molar mass
- 378.6 g/mol
Names & identifiers
- Preferred name
- 6-Bromo-7-chloro-2-(4-methoxy-benzyl)-2H-isoquinolin-1-one
- IUPAC
- 6-bromo-7-chloro-2-[(4-methoxyphenyl)methyl]isoquinolin-1-one
Names & synonyms
SCHEMBL1572340NSWBKBQTZAJPIV-UHFFFAOYSA-N6-Bromo-7-chloro-2-(4-methoxy-benzyl)-2H-isoquinolin-1-one
Database identifiers
- PubChem CID
- 59226259
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 436
Related reactions
3 records
Compound notes
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