TL;DR: 4-(2-Methylpiperidin-1-yl)-2-(4-nitrophenyl)quinazoline hydrochloride (CAS 1028127-60-7) is a chemical compound with molecular formula C20H21ClN4O2 and molecular weight 384.1353 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(2-methylpiperidin-1-yl)-2-(4-nitrophenyl)quinazoline;hydrochloride
Also Known As: 4-(2-methylpiperidin-1-yl)-2-(4-nitrophenyl)quinazoline hydrochloride, 4-(2-methylpiperidyl)-2-(4-nitrophenyl)quinazoline, chloride, 4-(2-methyl-1-piperidyl)-2-(4-nitrophenyl)quinazoline Hydrochloride
| Molecular Formula | C20H21ClN4O2 |
| Molecular Weight | 384.1353 g/mol |
| XLogP | 5.0056 |
| Topological Polar Surface Area (TPSA) | 74.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 384.1353 Da |
| Heavy Atoms | 27 |
| Complexity | 489.0 |
| SMILES | CC1CCCCN1C2=NC(=NC3=CC=CC=C32)C4=CC=C(C=C4)[N+](=O)[O-].Cl |
| InChIKey | GWOKXCLTJXTUTD-UHFFFAOYSA-N |
The XLogP value of 5.0056 indicates that 4-(2-Methylpiperidin-1-yl)-2-(4-nitrophenyl)quinazoline hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-Methylpiperidin-1-yl)-2-(4-nitrophenyl)quinazoline hydrochloride. Following Lipinski's Rule of Five, 4-(2-Methylpiperidin-1-yl)-2-(4-nitrophenyl)quinazoline hydrochloride has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 4-(2-Methylpiperidin-1-yl)-2-(4-nitrophenyl)quinazoline hydrochloride is 1028127-60-7.
The molecular formula of 4-(2-Methylpiperidin-1-yl)-2-(4-nitrophenyl)quinazoline hydrochloride is C20H21ClN4O2.
The molecular weight of 4-(2-Methylpiperidin-1-yl)-2-(4-nitrophenyl)quinazoline hydrochloride is 384.1353 g/mol.
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