4-(5-chloro-2,4-dimethoxyanilino)quinoline-3-carbonitrile--hydrogen chloride (1/1)
Chemical Structure Depiction of
4-(5-chloro-2,4-dimethoxyanilino)quinoline-3-carbonitrile--hydrogen chloride (1/1)
4-(5-chloro-2,4-dimethoxyanilino)quinoline-3-carbonitrile--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | F360-0057 |
| Compound Name: | 4-(5-chloro-2,4-dimethoxyanilino)quinoline-3-carbonitrile--hydrogen chloride (1/1) |
| Molecular Weight: | 376.24 |
| Molecular Formula: | C18 H14 Cl N3 O2 |
| Salt: | HCl |
| Smiles: | COc1cc(c(cc1Nc1c(C#N)cnc2ccccc12)[Cl])OC |
| Stereo: | ACHIRAL |
| logP: | 4.0882 |
| logD: | 4.0882 |
| logSw: | -4.4195 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.227 |
| InChI Key: | ZFUCKIQLSDOSDR-UHFFFAOYSA-N |