methyl 4-[(3-cyano-6-fluoroquinolin-4-yl)amino]benzoate--hydrogen chloride (1/1)
Chemical Structure Depiction of
methyl 4-[(3-cyano-6-fluoroquinolin-4-yl)amino]benzoate--hydrogen chloride (1/1)
methyl 4-[(3-cyano-6-fluoroquinolin-4-yl)amino]benzoate--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | F360-0309 |
| Compound Name: | methyl 4-[(3-cyano-6-fluoroquinolin-4-yl)amino]benzoate--hydrogen chloride (1/1) |
| Molecular Weight: | 357.77 |
| Molecular Formula: | C18 H12 F N3 O2 |
| Salt: | HCl |
| Smiles: | COC(c1ccc(cc1)Nc1c(C#N)cnc2ccc(cc12)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6227 |
| logD: | 3.6227 |
| logSw: | -3.9898 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.838 |
| InChI Key: | JDMAYHUPLYXAIM-UHFFFAOYSA-N |