2-{4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl}-6-[2-(4-methylphenyl)acetamido]quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Chemical Structure Depiction of
2-{4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl}-6-[2-(4-methylphenyl)acetamido]quinoline-4-carboxylic acid--hydrogen chloride (1/3)
2-{4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl}-6-[2-(4-methylphenyl)acetamido]quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Compound characteristics
| Compound ID: | F724-0686 |
| Compound Name: | 2-{4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl}-6-[2-(4-methylphenyl)acetamido]quinoline-4-carboxylic acid--hydrogen chloride (1/3) |
| Molecular Weight: | 598.96 |
| Molecular Formula: | C27 H31 N5 O4 |
| Salt: | 3HCl |
| Smiles: | Cc1ccc(CC(Nc2ccc3c(c2)c(cc(n3)N2CCN(CC2)CC(N(C)C)=O)C(O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.9782 |
| logD: | 0.0341 |
| logSw: | -3.1613 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.056 |
| InChI Key: | MVNLBPMXDPOEJT-UHFFFAOYSA-N |