2-methyl-5-oxo-4-(2,3,4-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-methyl-5-oxo-4-(2,3,4-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-methyl-5-oxo-4-(2,3,4-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | Y501-3648 |
| Compound Name: | 2-methyl-5-oxo-4-(2,3,4-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 354.4 |
| Molecular Formula: | C20 H22 N2 O4 |
| Smiles: | CC1=C(C#N)C(C2=C(CCCC2=O)N1)c1ccc(c(c1OC)OC)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7107 |
| logD: | 0.2004 |
| logSw: | -3.1741 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.042 |
| InChI Key: | PQSJKBBLOLMIBO-QGZVFWFLSA-N |