4-[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)piperidin-1-yl]-6-ethoxyquinoline-3-carbonitrile
Chemical Structure Depiction of
4-[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)piperidin-1-yl]-6-ethoxyquinoline-3-carbonitrile
4-[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)piperidin-1-yl]-6-ethoxyquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | L483-0675 |
| Compound Name: | 4-[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)piperidin-1-yl]-6-ethoxyquinoline-3-carbonitrile |
| Molecular Weight: | 440.54 |
| Molecular Formula: | C27 H28 N4 O2 |
| Smiles: | CCOc1ccc2c(c1)c(c(C#N)cn2)N1CCC(CC1)C(N1CCc2ccccc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3814 |
| logD: | 4.3528 |
| logSw: | -4.1228 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 52.431 |
| InChI Key: | WTHUQMZKJXIFPE-UHFFFAOYSA-N |