3-cyano-2-(3,4-dimethoxyphenyl)-1-(4-methylbenzoyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-3-carboxamide
Chemical Structure Depiction of
3-cyano-2-(3,4-dimethoxyphenyl)-1-(4-methylbenzoyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-3-carboxamide
3-cyano-2-(3,4-dimethoxyphenyl)-1-(4-methylbenzoyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-3-carboxamide
Compound characteristics
| Compound ID: | 8018-4745 |
| Compound Name: | 3-cyano-2-(3,4-dimethoxyphenyl)-1-(4-methylbenzoyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-3-carboxamide |
| Molecular Weight: | 493.56 |
| Molecular Formula: | C30 H27 N3 O4 |
| Smiles: | Cc1ccc(cc1)C(C1C(c2ccc(c(c2)OC)OC)C(C#N)(C2C=Cc3ccccc3N12)C(N)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.074 |
| logD: | 4.0722 |
| logSw: | -4.4084 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.075 |
| InChI Key: | HYTVOGWAHDOHAJ-UHFFFAOYSA-N |