N-(3-chlorophenyl)-2-{3-[(3,4-dimethoxyanilino)methyl]-7-methyl-2-oxoquinolin-1(2H)-yl}acetamide
Chemical Structure Depiction of
N-(3-chlorophenyl)-2-{3-[(3,4-dimethoxyanilino)methyl]-7-methyl-2-oxoquinolin-1(2H)-yl}acetamide
N-(3-chlorophenyl)-2-{3-[(3,4-dimethoxyanilino)methyl]-7-methyl-2-oxoquinolin-1(2H)-yl}acetamide
Compound characteristics
| Compound ID: | E894-1052 |
| Compound Name: | N-(3-chlorophenyl)-2-{3-[(3,4-dimethoxyanilino)methyl]-7-methyl-2-oxoquinolin-1(2H)-yl}acetamide |
| Molecular Weight: | 491.97 |
| Molecular Formula: | C27 H26 Cl N3 O4 |
| Smiles: | Cc1ccc2C=C(CNc3ccc(c(c3)OC)OC)C(N(CC(Nc3cccc(c3)[Cl])=O)c2c1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1778 |
| logD: | 5.1777 |
| logSw: | -5.3906 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.986 |
| InChI Key: | ITRKRTVGXZBUKN-UHFFFAOYSA-N |