3-[3-(2-chloro-7-ethoxyquinolin-3-yl)prop-2-enoyl]-6-nitro-4-phenylquinolin-2(1H)-one
Chemical Structure Depiction of
3-[3-(2-chloro-7-ethoxyquinolin-3-yl)prop-2-enoyl]-6-nitro-4-phenylquinolin-2(1H)-one
3-[3-(2-chloro-7-ethoxyquinolin-3-yl)prop-2-enoyl]-6-nitro-4-phenylquinolin-2(1H)-one
Compound characteristics
| Compound ID: | 0663-0017 |
| Compound Name: | 3-[3-(2-chloro-7-ethoxyquinolin-3-yl)prop-2-enoyl]-6-nitro-4-phenylquinolin-2(1H)-one |
| Molecular Weight: | 525.95 |
| Molecular Formula: | C29 H20 Cl N3 O5 |
| Smiles: | CCOc1ccc2cc(/C=C/C(C3=C(c4ccccc4)c4cc(ccc4NC3=O)[N+]([O-])=O)=O)c(nc2c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.2042 |
| logD: | 4.0962 |
| logSw: | -6.0985 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.293 |
| InChI Key: | LNDVZDKSXJUHSE-UHFFFAOYSA-N |