6-chloro-4-(3,4,5-trimethoxyanilino)quinoline-3-carbonitrile--hydrogen chloride (1/1)
Chemical Structure Depiction of
6-chloro-4-(3,4,5-trimethoxyanilino)quinoline-3-carbonitrile--hydrogen chloride (1/1)
6-chloro-4-(3,4,5-trimethoxyanilino)quinoline-3-carbonitrile--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | F360-0394 |
| Compound Name: | 6-chloro-4-(3,4,5-trimethoxyanilino)quinoline-3-carbonitrile--hydrogen chloride (1/1) |
| Molecular Weight: | 406.27 |
| Molecular Formula: | C19 H16 Cl N3 O3 |
| Salt: | HCl |
| Smiles: | COc1cc(cc(c1OC)OC)Nc1c(C#N)cnc2ccc(cc12)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.5242 |
| logD: | 3.5241 |
| logSw: | -3.9127 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.642 |
| InChI Key: | NNCGMBWDUSKGFK-UHFFFAOYSA-N |