{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[2-(2,4-dimethoxyanilino)quinolin-4-yl]methanone
Chemical Structure Depiction of
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[2-(2,4-dimethoxyanilino)quinolin-4-yl]methanone
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[2-(2,4-dimethoxyanilino)quinolin-4-yl]methanone
Compound characteristics
| Compound ID: | K788-4908 |
| Compound Name: | {4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[2-(2,4-dimethoxyanilino)quinolin-4-yl]methanone |
| Molecular Weight: | 526.59 |
| Molecular Formula: | C30 H30 N4 O5 |
| Smiles: | COc1ccc(c(c1)OC)Nc1cc(C(N2CCN(CC2)Cc2ccc3c(c2)OCO3)=O)c2ccccc2n1 |
| Stereo: | ACHIRAL |
| logP: | 4.8318 |
| logD: | 4.6402 |
| logSw: | -4.744 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.829 |
| InChI Key: | FZJZEWVZMRDOTN-UHFFFAOYSA-N |