TL;DR: 4-(4-methylpiperazin-1-yl)-2-(4-nitrophenyl)quinazoline Hydrochloride (CAS 1052405-68-1) is a chemical compound with molecular formula C19H20ClN5O2 and molecular weight 385.13055 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(4-methylpiperazin-1-yl)-2-(4-nitrophenyl)quinazoline;hydrochloride
Also Known As: 4-(4-methylpiperazin-1-yl)-2-(4-nitrophenyl)quina, 4-(4-methylpiperazin-1-yl)-2-(4-nitrophenyl)quinazoline Hydrochloride, F3097-4041
| Molecular Formula | C19H20ClN5O2 |
| Molecular Weight | 385.13055 g/mol |
| XLogP | 3.3786 |
| Topological Polar Surface Area (TPSA) | 78.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 385.13055 Da |
| Heavy Atoms | 27 |
| Complexity | 483.0 |
| SMILES | CN1CCN(CC1)C2=NC(=NC3=CC=CC=C32)C4=CC=C(C=C4)[N+](=O)[O-].Cl |
| InChIKey | SJHHJCUKSLKMOO-UHFFFAOYSA-N |
The XLogP value of 3.3786 indicates that 4-(4-methylpiperazin-1-yl)-2-(4-nitrophenyl)quinazoline Hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-methylpiperazin-1-yl)-2-(4-nitrophenyl)quinazoline Hydrochloride. Following Lipinski's Rule of Five, 4-(4-methylpiperazin-1-yl)-2-(4-nitrophenyl)quinazoline Hydrochloride has 1 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 4-(4-methylpiperazin-1-yl)-2-(4-nitrophenyl)quinazoline Hydrochloride is 1052405-68-1.
The molecular formula of 4-(4-methylpiperazin-1-yl)-2-(4-nitrophenyl)quinazoline Hydrochloride is C19H20ClN5O2.
The molecular weight of 4-(4-methylpiperazin-1-yl)-2-(4-nitrophenyl)quinazoline Hydrochloride is 385.13055 g/mol.
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