6-[(2-methylbenzene-1-sulfonyl)amino]-2-(4-methylpiperazin-1-yl)quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Chemical Structure Depiction of
6-[(2-methylbenzene-1-sulfonyl)amino]-2-(4-methylpiperazin-1-yl)quinoline-4-carboxylic acid--hydrogen chloride (1/3)
6-[(2-methylbenzene-1-sulfonyl)amino]-2-(4-methylpiperazin-1-yl)quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Compound characteristics
| Compound ID: | F447-0493 |
| Compound Name: | 6-[(2-methylbenzene-1-sulfonyl)amino]-2-(4-methylpiperazin-1-yl)quinoline-4-carboxylic acid--hydrogen chloride (1/3) |
| Molecular Weight: | 549.9 |
| Molecular Formula: | C22 H24 N4 O4 S |
| Salt: | 3HCl |
| Smiles: | Cc1ccccc1S(Nc1ccc2c(c1)c(cc(n2)N1CCN(C)CC1)C(O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8423 |
| logD: | 3.8423 |
| logSw: | -3.8453 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.019 |
| InChI Key: | UAEGOBSIWKQCCW-UHFFFAOYSA-N |