2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-(4-fluorobenzamido)quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Chemical Structure Depiction of
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-(4-fluorobenzamido)quinoline-4-carboxylic acid--hydrogen chloride (1/3)
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-(4-fluorobenzamido)quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Compound characteristics
| Compound ID: | F724-0087 |
| Compound Name: | 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-(4-fluorobenzamido)quinoline-4-carboxylic acid--hydrogen chloride (1/3) |
| Molecular Weight: | 607.94 |
| Molecular Formula: | C29 H27 F N4 O3 |
| Salt: | 3HCl |
| Smiles: | Cc1cccc(c1C)N1CCN(CC1)c1cc(C(O)=O)c2cc(ccc2n1)NC(c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 6.7369 |
| logD: | 3.7928 |
| logSw: | -5.6105 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.944 |
| InChI Key: | HEXFVPUKRBOCKW-UHFFFAOYSA-N |