2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-[4-methyl-2-(piperidin-1-yl)quinolin-6-yl]acetamide
Chemical Structure Depiction of
2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-[4-methyl-2-(piperidin-1-yl)quinolin-6-yl]acetamide
2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-[4-methyl-2-(piperidin-1-yl)quinolin-6-yl]acetamide
Compound characteristics
| Compound ID: | C095-0089 |
| Compound Name: | 2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-[4-methyl-2-(piperidin-1-yl)quinolin-6-yl]acetamide |
| Molecular Weight: | 422.49 |
| Molecular Formula: | C22 H26 N6 O3 |
| Smiles: | Cc1cc(nc2ccc(cc12)NC(Cn1c(C)c(c(C)n1)[N+]([O-])=O)=O)N1CCCCC1 |
| Stereo: | ACHIRAL |
| logP: | 4.1682 |
| logD: | 4.1678 |
| logSw: | -4.3037 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.696 |
| InChI Key: | IXWXVBLQMNKPSK-UHFFFAOYSA-N |