1-(4-chlorobenzoyl)-3-cyano-2-(3,4-dimethoxyphenyl)-7-fluoro-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-3-carboxamide
Chemical Structure Depiction of
1-(4-chlorobenzoyl)-3-cyano-2-(3,4-dimethoxyphenyl)-7-fluoro-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-3-carboxamide
1-(4-chlorobenzoyl)-3-cyano-2-(3,4-dimethoxyphenyl)-7-fluoro-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-3-carboxamide
Compound characteristics
| Compound ID: | 8018-4749 |
| Compound Name: | 1-(4-chlorobenzoyl)-3-cyano-2-(3,4-dimethoxyphenyl)-7-fluoro-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-3-carboxamide |
| Molecular Weight: | 531.97 |
| Molecular Formula: | C29 H23 Cl F N3 O4 |
| Smiles: | COc1ccc(cc1OC)C1C(C(c2ccc(cc2)[Cl])=O)N2C(C=Cc3cc(ccc23)F)C1(C#N)C(N)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.4216 |
| logD: | 4.411 |
| logSw: | -4.9425 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.075 |
| InChI Key: | NXZUBBVKIGIYCG-UHFFFAOYSA-N |