4-(4-aminophenyl)-3,4-dihydro-1H-benzo[f]isoquinolin-2-one
Basic information
- CAS
81250-58-0- Standard SMILES
Nc1ccc(C2NC(=O)Cc3c2ccc2ccccc32)cc1- InChIKey
AWQVLXUKLNQZMB-UHFFFAOYSA-N- Molecular formula
- C19H16N2O
- Average molar mass
- 288.3 g/mol
- Monoisotopic mass
- 288.12626314
Names & identifiers
- Preferred name
- 4-(4-aminophenyl)-3,4-dihydro-1H-benzo[f]isoquinolin-2-one
- IUPAC
- 4-(4-aminophenyl)-3,4-dihydro-1H-benzo[f]isoquinolin-2-one
Names & synonyms
81250-58-04-(4-aminophenyl)-3,4-dihydro-1H-benzo[f]isoquinolin-2-oneNSC367238CHEMBL1984203DTXSID00320952NSC-367238NCI60_0033784-(4-Aminophenyl)-3,4-dihydrobenzo[f]isoquinolin-2(1H)-one
Database identifiers
- CAS
81250-58-0- PubChem CID
- 339645
- DTXSID
DTXSID00320952- ChEMBL
CHEMBL1984203
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 416
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Compound notes
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