Basic information
- CAS
66948-20-7- Standard SMILES
CN1C(=O)C(O)(Cc2nccc3ccccc23)c2ccccc21- InChIKey
XXBVFWZJBFBOLV-UHFFFAOYSA-N- Molecular formula
- C19H16N2O2
- Average molar mass
- 304.3 g/mol
- Monoisotopic mass
- 304.12117776
Names & identifiers
- Preferred name
- 3-Hydroxy-3-(1-isoquinolinylmethyl)-1-methyl-1,3-dihydro-2H-indol-2-one
- IUPAC
- 3-hydroxy-3-(isoquinolin-1-ylmethyl)-1-methylindol-2-one
Names & synonyms
66948-20-7NSC278007NSC 2780073-Hydroxy-3-(1-isoquinolinylmethyl)-1-methyl-1,3-dihydro-2H-indol-2-oneNSC-2780073-hydroxy-3-(1-isoquinolylmethyl)-1-methyl-indolin-2-one
Database identifiers
- CAS
66948-20-7- PubChem CID
- 322103
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 53.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 468
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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