2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]acetamide
Chemical Structure Depiction of
2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]acetamide
2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]acetamide
Compound characteristics
| Compound ID: | C095-0345 |
| Compound Name: | 2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]acetamide |
| Molecular Weight: | 451.53 |
| Molecular Formula: | C23 H29 N7 O3 |
| Smiles: | CCN1CCN(CC1)c1cc(C)c2cc(ccc2n1)NC(Cn1c(C)c(c(C)n1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.331 |
| logD: | 2.6435 |
| logSw: | -3.4871 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.233 |
| InChI Key: | RQXJZTHIYYVHBC-UHFFFAOYSA-N |