4-(3,4-dimethoxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile--hydrogen chloride (1/1)
Chemical Structure Depiction of
4-(3,4-dimethoxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile--hydrogen chloride (1/1)
4-(3,4-dimethoxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | F360-0185 |
| Compound Name: | 4-(3,4-dimethoxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile--hydrogen chloride (1/1) |
| Molecular Weight: | 401.85 |
| Molecular Formula: | C20 H19 N3 O4 |
| Salt: | HCl |
| Smiles: | COc1ccc(cc1OC)Nc1c(C#N)cnc2cc(c(cc12)OC)OC |
| Stereo: | ACHIRAL |
| logP: | 2.4641 |
| logD: | 2.4613 |
| logSw: | -2.8919 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.186 |
| InChI Key: | PPNMPEHEXLGGID-UHFFFAOYSA-N |