1-(4-chlorobenzoyl)-2-(3,4-dimethoxyphenyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Chemical Structure Depiction of
1-(4-chlorobenzoyl)-2-(3,4-dimethoxyphenyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
1-(4-chlorobenzoyl)-2-(3,4-dimethoxyphenyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Compound characteristics
| Compound ID: | 1404-0110 |
| Compound Name: | 1-(4-chlorobenzoyl)-2-(3,4-dimethoxyphenyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile |
| Molecular Weight: | 495.96 |
| Molecular Formula: | C29 H22 Cl N3 O3 |
| Smiles: | COc1ccc(cc1OC)C1C(C(c2ccc(cc2)[Cl])=O)N2C(C=Cc3ccccc23)C1(C#N)C#N |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.2516 |
| logD: | 4.9886 |
| logSw: | -5.9872 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 65.072 |
| InChI Key: | UABNNDYJUIQZQZ-UHFFFAOYSA-N |