4-(3-chloro-4-methoxyanilino)quinoline-3-carbonitrile--hydrogen chloride (1/1)
Chemical Structure Depiction of
4-(3-chloro-4-methoxyanilino)quinoline-3-carbonitrile--hydrogen chloride (1/1)
4-(3-chloro-4-methoxyanilino)quinoline-3-carbonitrile--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | F360-0019 |
| Compound Name: | 4-(3-chloro-4-methoxyanilino)quinoline-3-carbonitrile--hydrogen chloride (1/1) |
| Molecular Weight: | 346.21 |
| Molecular Formula: | C17 H12 Cl N3 O |
| Salt: | HCl |
| Smiles: | COc1ccc(cc1[Cl])Nc1c(C#N)cnc2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 3.8622 |
| logD: | 3.8622 |
| logSw: | -4.2744 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.294 |
| InChI Key: | JYNNEJAYZLRNLJ-UHFFFAOYSA-N |