TL;DR: Piperidine, 1-(4-((7-bromo-4-oxo-2-phenyl-3(4H)-quinazolinyl)amino)benzoyl)- (CAS 131604-20-1) is a chemical compound with molecular formula C26H23BrN4O2 and molecular weight 502.10043 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-bromo-2-phenyl-3-[4-(piperidine-1-carbonyl)anilino]quinazolin-4-one
Also Known As: Piperidine, 1-(4-((7-bromo-4-oxo-2-phenyl-3(4H)-quinazolinyl)amino)benzoyl)-, 1-(4-((7-Bromo-4-oxo-2-phenyl-3(4H)-quinazolinyl)amino)benzoyl)piperidine, 7-Bromo-2-phenyl-3-[4-(piperidine-1-carbonyl)anilino]quinazolin-4(3H)-one, 7-bromo-2-phenyl-3-[4-(piperidine-1-carbonyl)anilino]quinazolin-4-one
| Molecular Formula | C26H23BrN4O2 |
| Molecular Weight | 502.10043 g/mol |
| XLogP | 5.4 |
| Topological Polar Surface Area (TPSA) | 65.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 502.10043 Da |
| Heavy Atoms | 33 |
| Complexity | 739.0 |
| SMILES | C1CCN(CC1)C(=O)C2=CC=C(C=C2)NN3C(=NC4=C(C3=O)C=CC(=C4)Br)C5=CC=CC=C5 |
| InChIKey | RMCCDADGMVZNOD-UHFFFAOYSA-N |
The XLogP value of 5.4 indicates that Piperidine, 1-(4-((7-bromo-4-oxo-2-phenyl-3(4H)-quinazolinyl)amino)benzoyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Piperidine, 1-(4-((7-bromo-4-oxo-2-phenyl-3(4H)-quinazolinyl)amino)benzoyl)-. Following Lipinski's Rule of Five, Piperidine, 1-(4-((7-bromo-4-oxo-2-phenyl-3(4H)-quinazolinyl)amino)benzoyl)- has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Piperidine, 1-(4-((7-bromo-4-oxo-2-phenyl-3(4H)-quinazolinyl)amino)benzoyl)- is 131604-20-1.
The molecular formula of Piperidine, 1-(4-((7-bromo-4-oxo-2-phenyl-3(4H)-quinazolinyl)amino)benzoyl)- is C26H23BrN4O2.
The molecular weight of Piperidine, 1-(4-((7-bromo-4-oxo-2-phenyl-3(4H)-quinazolinyl)amino)benzoyl)- is 502.10043 g/mol.
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