2-Benzoyl-1,2-dihydro-1-isoquinolinecarbonitrile
2-benzoyl-1H-isoquinoline-1-carbonitrile
Also Known As: 2-benzoyl-1,2-dihydroisoquinoline-1-carbonitrile|1-Cyano-2-benzoyl-1,2-dihydroisoquinoline|2-benzoyl-1H-isoquinoline-1-carbonitrile|ACMC-20gzy0|Maybridge1_000014|MixCom1_000014|2-Benzoyl-1,2-dihydro-1-isoquinolinecarbonitrile|2-Benzoyl-1-cyano-1,2-dihydroisoquinoline|2-bromo-3-iodo-4,6-dimethylpyridine|2-Benzoyl-cyano-1,2-Dihydroisoquinoline|2-Benzoyl-1-cyan-1.2-dihydroisochinolin|BAS 00327251|2-Benzoyl-1,2-dihydro-isoquinoline-1-carbonitrile|2-Benzoyl-1-cyano-1,2-dihydro-isochinolin|2-Benzoyl-1-cyano-1,2-dihydro-isoquinoline|N-Benzoyl-1-cyano-1,2-dihydro isoquinoline
| Molecular Formula | C17H12N2O |
|---|---|
| Molecular Weight | 260.09497 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 44.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 260.09497 |
| Monoisotopic Mass | 260.09497 |
| Heavy Atoms | 20 |
| Complexity | 441.0 |
| Solubility | 27.6 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 844-25-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)N2C=CC3=CC=CC=C3C2C#N |
| InChIKey | HIRCCKPODGFADB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Benzoyl-1,2-dihydro-1-isoquinolinecarbonitrile (CAS 844-25-7), with molecular formula C17H12N2O and molecular weight 260.09497 g/mol. IUPAC: 2-benzoyl-1H-isoquinoline-1-carbonitrile.