4-(5-chloro-2-methylanilino)quinoline-3-carbonitrile--hydrogen chloride (1/1)
Chemical Structure Depiction of
4-(5-chloro-2-methylanilino)quinoline-3-carbonitrile--hydrogen chloride (1/1)
4-(5-chloro-2-methylanilino)quinoline-3-carbonitrile--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | F360-0031 |
| Compound Name: | 4-(5-chloro-2-methylanilino)quinoline-3-carbonitrile--hydrogen chloride (1/1) |
| Molecular Weight: | 330.21 |
| Molecular Formula: | C17 H12 Cl N3 |
| Salt: | HCl |
| Smiles: | Cc1ccc(cc1Nc1c(C#N)cnc2ccccc12)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.2465 |
| logD: | 4.2465 |
| logSw: | -4.506 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 32.966 |
| InChI Key: | SSRPSSAQVWVYGQ-UHFFFAOYSA-N |