N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-3-nitrobenzamide
Chemical Structure Depiction of
N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-3-nitrobenzamide
N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-3-nitrobenzamide
Compound characteristics
| Compound ID: | C138-1953 |
| Compound Name: | N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-3-nitrobenzamide |
| Molecular Weight: | 405.46 |
| Molecular Formula: | C22 H23 N5 O3 |
| Smiles: | Cc1cc(nc2ccc(cc12)NC(c1cccc(c1)[N+]([O-])=O)=O)N1CCN(C)CC1 |
| Stereo: | ACHIRAL |
| logP: | 4.2532 |
| logD: | 3.6832 |
| logSw: | -4.3197 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.434 |
| InChI Key: | RIKDJQTWJQLYFR-UHFFFAOYSA-N |