2-[4-(2-cyanoethyl)piperazin-1-yl]-6-(3-methylbutanamido)quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Chemical Structure Depiction of
2-[4-(2-cyanoethyl)piperazin-1-yl]-6-(3-methylbutanamido)quinoline-4-carboxylic acid--hydrogen chloride (1/3)
2-[4-(2-cyanoethyl)piperazin-1-yl]-6-(3-methylbutanamido)quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Compound characteristics
| Compound ID: | F724-0256 |
| Compound Name: | 2-[4-(2-cyanoethyl)piperazin-1-yl]-6-(3-methylbutanamido)quinoline-4-carboxylic acid--hydrogen chloride (1/3) |
| Molecular Weight: | 518.87 |
| Molecular Formula: | C22 H27 N5 O3 |
| Salt: | 3HCl |
| Smiles: | CC(C)CC(Nc1ccc2c(c1)c(cc(n2)N1CCN(CCC#N)CC1)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2223 |
| logD: | 0.2782 |
| logSw: | -3.4786 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.325 |
| InChI Key: | BEVILCPHWXNVJC-UHFFFAOYSA-N |