TL;DR: 6-bromo-N-[4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)quinoline-4-carboxamide (CAS 438227-42-0) is a chemical compound with molecular formula C29H24BrN3O2S and molecular weight 557.0773 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-bromo-N-[4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
Also Known As: 6-bromo-N-[4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)quinoline-4-carboxamide, [6-bromo-2-(4-methoxyphenyl)(4-quinolyl)]-N-[4-(4-ethylphenyl)-5-methyl(1,3-th iazol-2-yl)]carboxamide, 6-bromo-N-[4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)-4-quinolinecarboxamide
| Molecular Formula | C29H24BrN3O2S |
| Molecular Weight | 557.0773 g/mol |
| XLogP | 7.6 |
| Topological Polar Surface Area (TPSA) | 92.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 557.0773 Da |
| Heavy Atoms | 36 |
| Complexity | 727.0 |
| SMILES | CCC1=CC=C(C=C1)C2=C(SC(=N2)NC(=O)C3=CC(=NC4=C3C=C(C=C4)Br)C5=CC=C(C=C5)OC)C |
| InChIKey | CRABAYOFKGOHFB-UHFFFAOYSA-N |
The XLogP value of 7.6 indicates that 6-bromo-N-[4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)quinoline-4-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-bromo-N-[4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)quinoline-4-carboxamide. Following Lipinski's Rule of Five, 6-bromo-N-[4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)quinoline-4-carboxamide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 6-bromo-N-[4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)quinoline-4-carboxamide is 438227-42-0.
The molecular formula of 6-bromo-N-[4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)quinoline-4-carboxamide is C29H24BrN3O2S.
The molecular weight of 6-bromo-N-[4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)quinoline-4-carboxamide is 557.0773 g/mol.
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