6,7-dimethoxy-4-[4-(propan-2-yl)anilino]quinoline-3-carbonitrile--hydrogen chloride (1/1)
Chemical Structure Depiction of
6,7-dimethoxy-4-[4-(propan-2-yl)anilino]quinoline-3-carbonitrile--hydrogen chloride (1/1)
6,7-dimethoxy-4-[4-(propan-2-yl)anilino]quinoline-3-carbonitrile--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | F360-0231 |
| Compound Name: | 6,7-dimethoxy-4-[4-(propan-2-yl)anilino]quinoline-3-carbonitrile--hydrogen chloride (1/1) |
| Molecular Weight: | 383.88 |
| Molecular Formula: | C21 H21 N3 O2 |
| Salt: | HCl |
| Smiles: | CC(C)c1ccc(cc1)Nc1c(C#N)cnc2cc(c(cc12)OC)OC |
| Stereo: | ACHIRAL |
| logP: | 4.2674 |
| logD: | 4.2645 |
| logSw: | -4.3438 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.925 |
| InChI Key: | GRSMJKZUNQCQJN-UHFFFAOYSA-N |