methyl 4-[(3-cyano-6-ethylquinolin-4-yl)amino]benzoate--hydrogen chloride (1/1)
Chemical Structure Depiction of
methyl 4-[(3-cyano-6-ethylquinolin-4-yl)amino]benzoate--hydrogen chloride (1/1)
methyl 4-[(3-cyano-6-ethylquinolin-4-yl)amino]benzoate--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | F360-0855 |
| Compound Name: | methyl 4-[(3-cyano-6-ethylquinolin-4-yl)amino]benzoate--hydrogen chloride (1/1) |
| Molecular Weight: | 367.83 |
| Molecular Formula: | C20 H17 N3 O2 |
| Salt: | HCl |
| Smiles: | CCc1ccc2c(c1)c(c(C#N)cn2)Nc1ccc(cc1)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.3937 |
| logD: | 4.3934 |
| logSw: | -4.1946 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.838 |
| InChI Key: | PWYANVYAWQSPDG-UHFFFAOYSA-N |