N-(2-cyanoethyl)-2-(3,4-dihydroisoquinolin-2(1H)-yl)quinoline-4-carboxamide
Chemical Structure Depiction of
N-(2-cyanoethyl)-2-(3,4-dihydroisoquinolin-2(1H)-yl)quinoline-4-carboxamide
N-(2-cyanoethyl)-2-(3,4-dihydroisoquinolin-2(1H)-yl)quinoline-4-carboxamide
Compound characteristics
| Compound ID: | V030-7898 |
| Compound Name: | N-(2-cyanoethyl)-2-(3,4-dihydroisoquinolin-2(1H)-yl)quinoline-4-carboxamide |
| Molecular Weight: | 356.43 |
| Molecular Formula: | C22 H20 N4 O |
| Salt: | not_available |
| Smiles: | C(CNC(c1cc(nc2ccccc12)N1CCc2ccccc2C1)=O)C#N |
| Stereo: | ACHIRAL |
| logP: | 3.6083 |
| logD: | 3.6079 |
| logSw: | -3.829 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.165 |
| InChI Key: | XDJLYVAJPLPXDP-UHFFFAOYSA-N |