4-(3,5-dimethoxyanilino)quinoline-3-carbonitrile--hydrogen chloride (1/1)
Chemical Structure Depiction of
4-(3,5-dimethoxyanilino)quinoline-3-carbonitrile--hydrogen chloride (1/1)
4-(3,5-dimethoxyanilino)quinoline-3-carbonitrile--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | F360-0055 |
| Compound Name: | 4-(3,5-dimethoxyanilino)quinoline-3-carbonitrile--hydrogen chloride (1/1) |
| Molecular Weight: | 341.8 |
| Molecular Formula: | C18 H15 N3 O2 |
| Salt: | HCl |
| Smiles: | COc1cc(cc(c1)OC)Nc1c(C#N)cnc2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 3.4907 |
| logD: | 3.4906 |
| logSw: | -3.7537 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.751 |
| InChI Key: | BJTZOKNGDCQCOY-UHFFFAOYSA-N |