Basic information
- Standard SMILES
Nc1cccc(C2NC(=O)Cc3ccccc32)c1- InChIKey
OHEXYHRJCLBKAY-UHFFFAOYSA-N- Molecular formula
- C15H14N2O
- Average molar mass
- 238.28 g/mol
Names & identifiers
- Preferred name
- 1-(3-Aminophenyl)-1,4-dihydroisoquinol-3-one
- IUPAC
- 1-(3-aminophenyl)-2,4-dihydro-1H-isoquinolin-3-one
Names & synonyms
SCHEMBL10854587OHEXYHRJCLBKAY-UHFFFAOYSA-N1-(3-aminophenyl)-1,4-dihydroisoquinol-3-one
Database identifiers
- PubChem CID
- 20242553
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 318
Related reactions
3 records
Compound notes
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