1-[4-(3,4-dimethoxyphenyl)-2,5-dioxo-3,4,5,6,7,8-hexahydroquinolin-1(2H)-yl]-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
Chemical Structure Depiction of
1-[4-(3,4-dimethoxyphenyl)-2,5-dioxo-3,4,5,6,7,8-hexahydroquinolin-1(2H)-yl]-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
1-[4-(3,4-dimethoxyphenyl)-2,5-dioxo-3,4,5,6,7,8-hexahydroquinolin-1(2H)-yl]-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 8018-5683 |
| Compound Name: | 1-[4-(3,4-dimethoxyphenyl)-2,5-dioxo-3,4,5,6,7,8-hexahydroquinolin-1(2H)-yl]-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile |
| Molecular Weight: | 447.49 |
| Molecular Formula: | C25 H25 N3 O5 |
| Smiles: | CC1=CC(C)=C(C#N)C(N1N1C2CCCC(C=2C(CC1=O)c1ccc(c(c1)OC)OC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.698 |
| logD: | 1.698 |
| logSw: | -2.1366 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 81.61 |
| InChI Key: | IRJYEJSGFAOIQU-QGZVFWFLSA-N |