6-ethoxy-4-{[(4-fluorophenyl)methyl]amino}quinoline-3-carbonitrile--hydrogen chloride (1/1)
Chemical Structure Depiction of
6-ethoxy-4-{[(4-fluorophenyl)methyl]amino}quinoline-3-carbonitrile--hydrogen chloride (1/1)
6-ethoxy-4-{[(4-fluorophenyl)methyl]amino}quinoline-3-carbonitrile--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | F360-0977 |
| Compound Name: | 6-ethoxy-4-{[(4-fluorophenyl)methyl]amino}quinoline-3-carbonitrile--hydrogen chloride (1/1) |
| Molecular Weight: | 357.81 |
| Molecular Formula: | C19 H16 F N3 O |
| Salt: | HCl |
| Smiles: | CCOc1ccc2c(c1)c(c(C#N)cn2)NCc1ccc(cc1)F |
| Stereo: | ACHIRAL |
| logP: | 3.408 |
| logD: | 3.3973 |
| logSw: | -3.6203 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.11 |
| InChI Key: | RHLJDYQHCRTBGK-UHFFFAOYSA-N |