4-nitro-3-[(quinolin-2-yl)methylidene]-2,3-dihydro-1H-isoindol-1-one
Chemical Structure Depiction of
4-nitro-3-[(quinolin-2-yl)methylidene]-2,3-dihydro-1H-isoindol-1-one
4-nitro-3-[(quinolin-2-yl)methylidene]-2,3-dihydro-1H-isoindol-1-one
Compound characteristics
| Compound ID: | 3983-0058 |
| Compound Name: | 4-nitro-3-[(quinolin-2-yl)methylidene]-2,3-dihydro-1H-isoindol-1-one |
| Molecular Weight: | 317.3 |
| Molecular Formula: | C18 H11 N3 O3 |
| Smiles: | C(=C1/c2c(cccc2[N+]([O-])=O)C(N1)=O)\c1ccc2ccccc2n1 |
| Stereo: | ACHIRAL |
| logP: | 3.2 |
| logD: | 2.3679 |
| logSw: | -3.9995 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.941 |
| InChI Key: | GCSHNQBMOPLRDP-UHFFFAOYSA-N |