TL;DR: Quinazoline, 4-(4-chloro-3-methylphenoxy)-2-(4-methyl-1-piperazinyl)- (CAS 129112-46-5) is a chemical compound with molecular formula C20H21ClN4O and molecular weight 368.14038 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(4-chloro-3-methylphenoxy)-2-(4-methylpiperazin-1-yl)quinazoline
Also Known As: Quinazoline, 4-(4-chloro-3-methylphenoxy)-2-(4-methyl-1-piperazinyl)-, 4-(4-Chloro-m-tolyloxy)-2-(4-methyl-1-piperazinyl)quinazoline, 4-(4-Chloro-3-methylphenoxy)-2-(4-methyl-1-piperazinyl)quinazoline, 4-(4-chloro-3-methylphenoxy)-2-(4-methylpiperazin-1-yl)quinazoline, 2-[4-Methyl-1-piperazinyl]-4-(4-chloro-3-methylphenoxy)quinazoline
| Molecular Formula | C20H21ClN4O |
| Molecular Weight | 368.14038 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 41.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 368.14038 Da |
| Heavy Atoms | 26 |
| Complexity | 459.0 |
| SMILES | CC1=C(C=CC(=C1)OC2=NC(=NC3=CC=CC=C32)N4CCN(CC4)C)Cl |
| InChIKey | KWGCJLDOGOYJOP-UHFFFAOYSA-N |
The XLogP value of 4.7 indicates that Quinazoline, 4-(4-chloro-3-methylphenoxy)-2-(4-methyl-1-piperazinyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.5 Ų, Quinazoline, 4-(4-chloro-3-methylphenoxy)-2-(4-methyl-1-piperazinyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Quinazoline, 4-(4-chloro-3-methylphenoxy)-2-(4-methyl-1-piperazinyl)- has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Quinazoline, 4-(4-chloro-3-methylphenoxy)-2-(4-methyl-1-piperazinyl)- is 129112-46-5.
The molecular formula of Quinazoline, 4-(4-chloro-3-methylphenoxy)-2-(4-methyl-1-piperazinyl)- is C20H21ClN4O.
The molecular weight of Quinazoline, 4-(4-chloro-3-methylphenoxy)-2-(4-methyl-1-piperazinyl)- is 368.14038 g/mol.
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