4-(3,4-dihydroisoquinolin-2(1H)-yl)-6-ethoxyquinoline-3-carbonitrile
Chemical Structure Depiction of
4-(3,4-dihydroisoquinolin-2(1H)-yl)-6-ethoxyquinoline-3-carbonitrile
4-(3,4-dihydroisoquinolin-2(1H)-yl)-6-ethoxyquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | F360-0972 |
| Compound Name: | 4-(3,4-dihydroisoquinolin-2(1H)-yl)-6-ethoxyquinoline-3-carbonitrile |
| Molecular Weight: | 329.4 |
| Molecular Formula: | C21 H19 N3 O |
| Smiles: | CCOc1ccc2c(c1)c(c(C#N)cn2)N1CCc2ccccc2C1 |
| Stereo: | ACHIRAL |
| logP: | 4.4052 |
| logD: | 4.3703 |
| logSw: | -4.1771 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 35.783 |
| InChI Key: | CESQEERCTUEPQF-UHFFFAOYSA-N |