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 |