Basic information
- Standard SMILES
CC(Cl)Cn1cc(-c2ccccc2)c2ccccc2c1=O- InChIKey
FPADQHGHRKSHGU-UHFFFAOYSA-N- Molecular formula
- C18H16ClNO
- Average molar mass
- 297.8 g/mol
- Monoisotopic mass
- 297.0920418
Names & identifiers
- Preferred name
- 2-(2-chloropropyl)-4-phenyl-1(2H)-isoquinolone
- IUPAC
- 2-(2-chloropropyl)-4-phenylisoquinolin-1-one
Names & synonyms
SCHEMBL11104054FPADQHGHRKSHGU-UHFFFAOYSA-N2-(2-chloropropyl)-4-phenyl-1(2H)-isoquinolone
Database identifiers
- PubChem CID
- 13187643
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 413
Related reactions
4 records
Compound notes
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