Basic information
- CAS
81252-70-2- Standard SMILES
Nc1ccccc1-n1c(-c2ccccc2)c(O)c2ccccc2c1=O- InChIKey
LRVXOBYZXVBSOJ-UHFFFAOYSA-N- Molecular formula
- C21H16N2O2
- Average molar mass
- 328.4 g/mol
- Monoisotopic mass
- 328.12117776
Names & identifiers
- Preferred name
- 2-(2-Aminophenyl)-4-hydroxy-3-phenylisoquinolin-1(2H)-one
- IUPAC
- 2-(2-aminophenyl)-4-hydroxy-3-phenylisoquinolin-1-one
Names & synonyms
81252-70-22-(2-Aminophenyl)-4-hydroxy-3-phenylisoquinolin-1(2H)-oneDTXSID60511768RefChem:250396DTXCID704625752-(2-aminophenyl)-4-hydroxy-3-phenyl-1-isoquinolone
Database identifiers
- CAS
81252-70-2- PubChem CID
- 12862000
- DTXSID
DTXSID60511768
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 66.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 538
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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