2-[(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3(4H)-yl)methyl]benzonitrile
Chemical Structure Depiction of
2-[(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3(4H)-yl)methyl]benzonitrile
2-[(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3(4H)-yl)methyl]benzonitrile
Compound characteristics
| Compound ID: | G663-0786 |
| Compound Name: | 2-[(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3(4H)-yl)methyl]benzonitrile |
| Molecular Weight: | 316.36 |
| Molecular Formula: | C19 H16 N4 O |
| Smiles: | C1CCc2c(C1)cc1C(N(Cc3ccccc3C#N)C=Nc1n2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1195 |
| logD: | 3.1165 |
| logSw: | -3.4056 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 54.008 |
| InChI Key: | LZZXXKGBIQLTRM-UHFFFAOYSA-N |