ethyl 1-(2-cyanoanilino)isoquinoline-4-carboxylate
Chemical Structure Depiction of
ethyl 1-(2-cyanoanilino)isoquinoline-4-carboxylate
ethyl 1-(2-cyanoanilino)isoquinoline-4-carboxylate
Compound characteristics
| Compound ID: | G780-0597 |
| Compound Name: | ethyl 1-(2-cyanoanilino)isoquinoline-4-carboxylate |
| Molecular Weight: | 317.35 |
| Molecular Formula: | C19 H15 N3 O2 |
| Smiles: | CCOC(c1cnc(c2ccccc12)Nc1ccccc1C#N)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1122 |
| logD: | 4.1122 |
| logSw: | -4.0011 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.769 |
| InChI Key: | OZIHUZHAHNTFGU-UHFFFAOYSA-N |