4-(3,4-dimethoxyanilino)quinoline-3-carbonitrile--hydrogen chloride (1/1)
Chemical Structure Depiction of
4-(3,4-dimethoxyanilino)quinoline-3-carbonitrile--hydrogen chloride (1/1)
4-(3,4-dimethoxyanilino)quinoline-3-carbonitrile--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | F360-0015 |
| Compound Name: | 4-(3,4-dimethoxyanilino)quinoline-3-carbonitrile--hydrogen chloride (1/1) |
| Molecular Weight: | 341.8 |
| Molecular Formula: | C18 H15 N3 O2 |
| Salt: | HCl |
| Smiles: | COc1ccc(cc1OC)Nc1c(C#N)cnc2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 2.8865 |
| logD: | 2.8865 |
| logSw: | -3.242 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.925 |
| InChI Key: | LBQQYCWKPCHESI-UHFFFAOYSA-N |