1-(2-methylpropyl)-2-oxo-3-(pyridin-1-ium-1-yl)-1,2-dihydroquinolin-4-olate
Chemical Structure Depiction of
1-(2-methylpropyl)-2-oxo-3-(pyridin-1-ium-1-yl)-1,2-dihydroquinolin-4-olate
1-(2-methylpropyl)-2-oxo-3-(pyridin-1-ium-1-yl)-1,2-dihydroquinolin-4-olate
Compound characteristics
| Compound ID: | K844-1394 |
| Compound Name: | 1-(2-methylpropyl)-2-oxo-3-(pyridin-1-ium-1-yl)-1,2-dihydroquinolin-4-olate |
| Molecular Weight: | 294.35 |
| Molecular Formula: | C18 H18 N2 O2 |
| Smiles: | CC(C)CN1C(C(=C(c2ccccc12)[O-])[n+]1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8381 |
| logD: | 2.8381 |
| logSw: | -3.4156 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 33.569 |
| InChI Key: | VCVMSXPINPKAGZ-UHFFFAOYSA-N |