4-(4-chloroanilino)-8-methoxyquinoline-3-carbonitrile--hydrogen chloride (1/1)
Chemical Structure Depiction of
4-(4-chloroanilino)-8-methoxyquinoline-3-carbonitrile--hydrogen chloride (1/1)
4-(4-chloroanilino)-8-methoxyquinoline-3-carbonitrile--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | F360-0718 |
| Compound Name: | 4-(4-chloroanilino)-8-methoxyquinoline-3-carbonitrile--hydrogen chloride (1/1) |
| Molecular Weight: | 346.21 |
| Molecular Formula: | C17 H12 Cl N3 O |
| Salt: | HCl |
| Smiles: | COc1cccc2c(c(C#N)cnc12)Nc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.8479 |
| logD: | 3.8478 |
| logSw: | -4.5381 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.065 |
| InChI Key: | JPLVYMGKNIYYAL-UHFFFAOYSA-N |