TL;DR: 1-(4-Chlorophenyl)-3-(2-chloro-6-methyl-3-quinolinyl)-2-propen-1-one (CAS 1436775-86-8) is a chemical compound with molecular formula C19H13Cl2NO and molecular weight 341.0374 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-3-(2-chloro-6-methylquinolin-3-yl)-1-(4-chlorophenyl)prop-2-en-1-one
Also Known As: (E)-3-(2-chloro-6-methylquinolin-3-yl)-1-(4-chlorophenyl)prop-2-en-1-one, 1-(4-CHLOROPHENYL)-3-(2-CHLORO-6-METHYL-3-QUINOLINYL)-2-PROPEN-1-ONE, (E)-3-(2-chloro-6-methyl-3-quinolyl)-1-(4-chlorophenyl)prop-2-en-1-one, 3-(2-chloro-6-methyl-quinolin-3-yl)-1-(4-chlorophenyl)prop-2-en-1-one, (2E)-3-(2-chloro-6-methyl(3-quinolyl))-1-(4-chlorophenyl)prop-2-en-1-one
| Molecular Formula | C19H13Cl2NO |
| Molecular Weight | 341.0374 g/mol |
| XLogP | 5.9 |
| Topological Polar Surface Area (TPSA) | 30.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 341.0374 Da |
| Heavy Atoms | 23 |
| Complexity | 445.0 |
| SMILES | CC1=CC2=CC(=C(N=C2C=C1)Cl)/C=C/C(=O)C3=CC=C(C=C3)Cl |
| InChIKey | HIWNWVKDNVZSIG-WEVVVXLNSA-N |
The XLogP value of 5.9 indicates that 1-(4-Chlorophenyl)-3-(2-chloro-6-methyl-3-quinolinyl)-2-propen-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.0 Ų, 1-(4-Chlorophenyl)-3-(2-chloro-6-methyl-3-quinolinyl)-2-propen-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Chlorophenyl)-3-(2-chloro-6-methyl-3-quinolinyl)-2-propen-1-one has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1-(4-Chlorophenyl)-3-(2-chloro-6-methyl-3-quinolinyl)-2-propen-1-one is 1436775-86-8.
The molecular formula of 1-(4-Chlorophenyl)-3-(2-chloro-6-methyl-3-quinolinyl)-2-propen-1-one is C19H13Cl2NO.
The molecular weight of 1-(4-Chlorophenyl)-3-(2-chloro-6-methyl-3-quinolinyl)-2-propen-1-one is 341.0374 g/mol.
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