TL;DR: Ethanone, 1-(4-((2-(4-methyl-1-piperazinyl)-4-quinazolinyl)oxy)phenyl)- (CAS 129112-42-1) is a chemical compound with molecular formula C21H22N4O2 and molecular weight 362.1743 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[4-[2-(4-methylpiperazin-1-yl)quinazolin-4-yl]oxyphenyl]ethanone
Also Known As: Ethanone, 1-(4-((2-(4-methyl-1-piperazinyl)-4-quinazolinyl)oxy)phenyl)-, Acetophenol, 4-(2-(4-methyl-1-piperzinyl)-4-quinazolinyloxy)-, 1-[4-[2-(4-methylpiperazin-1-yl)quinazolin-4-yl]oxyphenyl]ethanone, 2-[4-Methyl-1-piperazinyl]-4-(4-acetylphenoxy)quinazoline, ACETOPHENOL,4-(2-(4-METHYL-1-PIPERZINYL)-4-QUINAZOLINYLOXY)-
| Molecular Formula | C21H22N4O2 |
| Molecular Weight | 362.1743 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 58.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 362.1743 Da |
| Heavy Atoms | 27 |
| Complexity | 500.0 |
| SMILES | CC(=O)C1=CC=C(C=C1)OC2=NC(=NC3=CC=CC=C32)N4CCN(CC4)C |
| InChIKey | BTNKYUBXQPGOCR-UHFFFAOYSA-N |
The XLogP value of 3.4 indicates that Ethanone, 1-(4-((2-(4-methyl-1-piperazinyl)-4-quinazolinyl)oxy)phenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.6 Ų, Ethanone, 1-(4-((2-(4-methyl-1-piperazinyl)-4-quinazolinyl)oxy)phenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanone, 1-(4-((2-(4-methyl-1-piperazinyl)-4-quinazolinyl)oxy)phenyl)- has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Ethanone, 1-(4-((2-(4-methyl-1-piperazinyl)-4-quinazolinyl)oxy)phenyl)- is 129112-42-1.
The molecular formula of Ethanone, 1-(4-((2-(4-methyl-1-piperazinyl)-4-quinazolinyl)oxy)phenyl)- is C21H22N4O2.
The molecular weight of Ethanone, 1-(4-((2-(4-methyl-1-piperazinyl)-4-quinazolinyl)oxy)phenyl)- is 362.1743 g/mol.
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