methyl 4-[(3-cyanoquinolin-4-yl)amino]benzoate--hydrogen chloride (1/1)
Chemical Structure Depiction of
methyl 4-[(3-cyanoquinolin-4-yl)amino]benzoate--hydrogen chloride (1/1)
methyl 4-[(3-cyanoquinolin-4-yl)amino]benzoate--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | F360-0048 |
| Compound Name: | methyl 4-[(3-cyanoquinolin-4-yl)amino]benzoate--hydrogen chloride (1/1) |
| Molecular Weight: | 339.78 |
| Molecular Formula: | C18 H13 N3 O2 |
| Salt: | HCl |
| Smiles: | COC(c1ccc(cc1)Nc1c(C#N)cnc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4423 |
| logD: | 3.4423 |
| logSw: | -3.6028 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.838 |
| InChI Key: | FKHOMUCPCSXWQI-UHFFFAOYSA-N |