2-{4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl}-6-(2-methylbenzamido)quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Chemical Structure Depiction of
2-{4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl}-6-(2-methylbenzamido)quinoline-4-carboxylic acid--hydrogen chloride (1/3)
2-{4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl}-6-(2-methylbenzamido)quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Compound characteristics
| Compound ID: | F724-0133 |
| Compound Name: | 2-{4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl}-6-(2-methylbenzamido)quinoline-4-carboxylic acid--hydrogen chloride (1/3) |
| Molecular Weight: | 584.93 |
| Molecular Formula: | C26 H29 N5 O4 |
| Salt: | 3HCl |
| Smiles: | Cc1ccccc1C(Nc1ccc2c(c1)c(cc(n2)N1CCN(CC1)CC(N(C)C)=O)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8849 |
| logD: | -0.0592 |
| logSw: | -3.3155 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.27 |
| InChI Key: | VYRLRMNHYRBXFN-UHFFFAOYSA-N |