2-[(7-methyl-4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3(4H)-yl)methyl]benzonitrile
Chemical Structure Depiction of
2-[(7-methyl-4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3(4H)-yl)methyl]benzonitrile
2-[(7-methyl-4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3(4H)-yl)methyl]benzonitrile
Compound characteristics
| Compound ID: | G663-1037 |
| Compound Name: | 2-[(7-methyl-4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3(4H)-yl)methyl]benzonitrile |
| Molecular Weight: | 330.39 |
| Molecular Formula: | C20 H18 N4 O |
| Smiles: | CC1CCc2c(C1)cc1C(N(Cc3ccccc3C#N)C=Nc1n2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5779 |
| logD: | 3.5771 |
| logSw: | -3.7749 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 54.008 |
| InChI Key: | UTKOGTPWNJXHKW-CYBMUJFWSA-N |