Basic information
- CAS
62333-79-3- Standard SMILES
Cc1ccc(C23c4ccccc4CCN2C(=O)C3N)cc1- InChIKey
XKFUXXSYHYVHHW-UHFFFAOYSA-N- Molecular formula
- C18H18N2O
- Average molar mass
- 278.3 g/mol
- Monoisotopic mass
- 278.1419132
Names & identifiers
- Preferred name
- 1-Amino-9b-(4-methylphenyl)-1,4,5,9b-tetrahydro-2H-azeto(2,1-a)isoquinolin-2-one
- IUPAC
- 1-amino-9b-(4-methylphenyl)-4,5-dihydro-1H-azeto[2,1-a]isoquinolin-2-one
Names & synonyms
62333-79-3NSC354852NSC 3548521-Amino-9b-(4-methylphenyl)-1,4,5,9b-tetrahydro-2H-azeto(2,1-a)isoquinolin-2-one1-Amino-9b-(4-methylphenyl)-1,4,5,9b-tetrahydro-2H-azeto[2,1-a]isoquinolin-2-oneDTXSID80977887NSC-3548521-amino-9b-(p-tolyl)-4,5-dihydro-1H-azeto[2,1-a]isoquinolin-2-one
Database identifiers
- CAS
62333-79-3- PubChem CID
- 337315
- DTXSID
DTXSID80977887
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 429
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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