1-(4-Aminophenyl)-1,4-dihydro-4,4,7-trimethyl-3(2H)-isoquinolinone
Basic information
- CAS
40119-35-5- Standard SMILES
Cc1ccc2c(c1)C(c1ccc(N)cc1)NC(=O)C2(C)C- InChIKey
HZGATBMNGJMFPB-UHFFFAOYSA-N- Molecular formula
- C18H20N2O
- Average molar mass
- 280.4 g/mol
- Monoisotopic mass
- 280.15756327
Names & identifiers
- Preferred name
- 1-(4-Aminophenyl)-1,4-dihydro-4,4,7-trimethyl-3(2H)-isoquinolinone
- IUPAC
- 1-(4-aminophenyl)-4,4,7-trimethyl-1,2-dihydroisoquinolin-3-one
Names & synonyms
40119-35-5RefChem:10542881-(4-Aminophenyl)-1,4-dihydro-4,4,7-trimethyl-3(2H)-isoquinolinoneBRN 04889861,4-Dihydro-1-(4-aminophenyl)-4,4,7-trimethyl-3(2H)-isoquinolinone3(2H)-Isoquinolinone, 1,4-dihydro-1-(4-aminophenyl)-4,4,7-trimethyl-CHEMBL3277836DTXSID509605641-(4-Aminophenyl)-4,4,7-trimethyl-1,4-dihydroisoquinolin-3-ol
Database identifiers
- CAS
40119-35-5- PubChem CID
- 218064
- DTXSID
DTXSID50960564- ChEMBL
CHEMBL3277836
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
- 21
- Formal charge
- 0
- Complexity
- 398
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Compound notes
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