6-chloro-4-[4-(propan-2-yl)anilino]quinoline-3-carbonitrile--hydrogen chloride (1/1)
Chemical Structure Depiction of
6-chloro-4-[4-(propan-2-yl)anilino]quinoline-3-carbonitrile--hydrogen chloride (1/1)
6-chloro-4-[4-(propan-2-yl)anilino]quinoline-3-carbonitrile--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | F360-0413 |
| Compound Name: | 6-chloro-4-[4-(propan-2-yl)anilino]quinoline-3-carbonitrile--hydrogen chloride (1/1) |
| Molecular Weight: | 358.27 |
| Molecular Formula: | C19 H16 Cl N3 |
| Salt: | HCl |
| Smiles: | CC(C)c1ccc(cc1)Nc1c(C#N)cnc2ccc(cc12)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.4818 |
| logD: | 5.4818 |
| logSw: | -6.3927 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 33.664 |
| InChI Key: | KEBAUOKPXLJLCO-UHFFFAOYSA-N |