Basic information
- CAS
64097-18-3- Standard SMILES
Nc1ccccc1C1NC(=O)Cc2ccccc21- InChIKey
MPVPDOAOJQJVCZ-UHFFFAOYSA-N- Molecular formula
- C15H14N2O
- Average molar mass
- 238.28 g/mol
- Monoisotopic mass
- 238.11061307
Names & identifiers
- Preferred name
- 3(2H)-Isoquinolinone, 1,4-dihydro-1-(2-aminophenyl)-
- IUPAC
- 1-(2-aminophenyl)-2,4-dihydro-1H-isoquinolin-3-one
Names & synonyms
3(2H)-Isoquinolinone, 1,4-dihydro-1-(2-aminophenyl)-64097-18-3RefChem:1065435BRN 04055231,4-Dihydro-1-(2-aminophenyl)-3(2H)-isoquinolinoneCHEMBL3277832DTXSID109826011-(2-Aminophenyl)-1,4-dihydroisoquinolin-3-ol
Database identifiers
- CAS
64097-18-3- PubChem CID
- 3048890
- DTXSID
DTXSID10982601- ChEMBL
CHEMBL3277832
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
0 records
No reaction records under the current filter.
Compound notes
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