TL;DR: 1-[4-(4-methoxyphenyl)-2,2,4-trimethyl-3H-quinolin-1-yl]ethanone (CAS 113279-29-1) is a chemical compound with molecular formula C21H25NO2 and molecular weight 323.18854 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[4-(4-methoxyphenyl)-2,2,4-trimethyl-3H-quinolin-1-yl]ethanone
Also Known As: 1-[4-(4-methoxyphenyl)-2,2,4-trimethyl-3H-quinolin-1-yl]ethanone, 1-[4-(4-methoxyphenyl)-2,2,4-trimethyl-3,4-dihydroquinolin-1(2H)-yl]ethanone, 1-Acetyl-1,2,3,4-tetrahydro-4-methoxyphenyl-2,2,4-trimethylquinoline, 1-(4-(4-methoxyphenyl)-2,2,4-trimethyl-3,4-dihydroquinolin-1(2H)-yl)ethanone, 4-(1-Acetyl-2,2,4-trimethyl-1,2,3,4-tetrahydro-4-quinolinyl)phenyl methyl ether #
| Molecular Formula | C21H25NO2 |
| Molecular Weight | 323.18854 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 323.18854 Da |
| Heavy Atoms | 24 |
| Complexity | 466.0 |
| SMILES | CC(=O)N1C2=CC=CC=C2C(CC1(C)C)(C)C3=CC=C(C=C3)OC |
| InChIKey | VOECUKHOMGRCMC-UHFFFAOYSA-N |
The XLogP value of 4.3 indicates that 1-[4-(4-methoxyphenyl)-2,2,4-trimethyl-3H-quinolin-1-yl]ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, 1-[4-(4-methoxyphenyl)-2,2,4-trimethyl-3H-quinolin-1-yl]ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[4-(4-methoxyphenyl)-2,2,4-trimethyl-3H-quinolin-1-yl]ethanone has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-[4-(4-methoxyphenyl)-2,2,4-trimethyl-3H-quinolin-1-yl]ethanone is 113279-29-1.
The molecular formula of 1-[4-(4-methoxyphenyl)-2,2,4-trimethyl-3H-quinolin-1-yl]ethanone is C21H25NO2.
The molecular weight of 1-[4-(4-methoxyphenyl)-2,2,4-trimethyl-3H-quinolin-1-yl]ethanone is 323.18854 g/mol.
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