2-[4-(2-cyanoethyl)piperazin-1-yl]-6-[2-(4-methylphenyl)acetamido]quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Chemical Structure Depiction of
2-[4-(2-cyanoethyl)piperazin-1-yl]-6-[2-(4-methylphenyl)acetamido]quinoline-4-carboxylic acid--hydrogen chloride (1/3)
2-[4-(2-cyanoethyl)piperazin-1-yl]-6-[2-(4-methylphenyl)acetamido]quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Compound characteristics
| Compound ID: | F724-0684 |
| Compound Name: | 2-[4-(2-cyanoethyl)piperazin-1-yl]-6-[2-(4-methylphenyl)acetamido]quinoline-4-carboxylic acid--hydrogen chloride (1/3) |
| Molecular Weight: | 566.91 |
| Molecular Formula: | C26 H27 N5 O3 |
| Salt: | 3HCl |
| Smiles: | Cc1ccc(CC(Nc2ccc3c(c2)c(cc(n3)N2CCN(CCC#N)CC2)C(O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.7363 |
| logD: | 0.7922 |
| logSw: | -3.9015 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.053 |
| InChI Key: | IESIXCXIXWPOBV-UHFFFAOYSA-N |