6,7-dimethoxy-2-methyl-4-[4-(4-nitrophenyl)piperazine-1-carbonyl]isoquinolin-1(2H)-one
Chemical Structure Depiction of
6,7-dimethoxy-2-methyl-4-[4-(4-nitrophenyl)piperazine-1-carbonyl]isoquinolin-1(2H)-one
6,7-dimethoxy-2-methyl-4-[4-(4-nitrophenyl)piperazine-1-carbonyl]isoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | C154-0193 |
| Compound Name: | 6,7-dimethoxy-2-methyl-4-[4-(4-nitrophenyl)piperazine-1-carbonyl]isoquinolin-1(2H)-one |
| Molecular Weight: | 452.47 |
| Molecular Formula: | C23 H24 N4 O6 |
| Smiles: | CN1C=C(C(N2CCN(CC2)c2ccc(cc2)[N+]([O-])=O)=O)c2cc(c(cc2C1=O)OC)OC |
| Stereo: | ACHIRAL |
| logP: | 2.0915 |
| logD: | 2.0915 |
| logSw: | -2.8804 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 84.738 |
| InChI Key: | AOOINEHKJOYMIM-UHFFFAOYSA-N |