TL;DR: 4(1H)-Quinazolinone, 2,3-dihydro-3-phenyl-1-(piperidinoacetyl)-, hydrochloride (CAS 20887-14-3) is a chemical compound with molecular formula C21H24ClN3O2 and molecular weight 385.1557 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-phenyl-1-(2-piperidin-1-ylacetyl)-2H-quinazolin-4-one;hydrochloride
Also Known As: 4(1H)-Quinazolinone, 2,3-dihydro-3-phenyl-1-(piperidinoacetyl)-, hydrochloride, 3-phenyl-1-(2-piperidin-1-ylacetyl)-2H-quinazolin-4-one hydrochloride, 2,3-Dihydro-3-phenyl-1-(piperidinoacetyl)-4(1H)-quinazolinone hydrochloride, 3-Phenyl-1-[(piperidin-1-yl)acetyl]-2,3-dihydroquinazolin-4(1H)-one--hydrogen chloride (1/1)
| Molecular Formula | C21H24ClN3O2 |
| Molecular Weight | 385.1557 g/mol |
| XLogP | 3.55 |
| Topological Polar Surface Area (TPSA) | 43.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 385.1557 Da |
| Heavy Atoms | 27 |
| Complexity | 511.0 |
| SMILES | C1CCN(CC1)CC(=O)N2CN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4.Cl |
| InChIKey | MHOOCICWZSOJHM-UHFFFAOYSA-N |
The XLogP value of 3.55 indicates that 4(1H)-Quinazolinone, 2,3-dihydro-3-phenyl-1-(piperidinoacetyl)-, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.9 Ų, 4(1H)-Quinazolinone, 2,3-dihydro-3-phenyl-1-(piperidinoacetyl)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4(1H)-Quinazolinone, 2,3-dihydro-3-phenyl-1-(piperidinoacetyl)-, hydrochloride has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4(1H)-Quinazolinone, 2,3-dihydro-3-phenyl-1-(piperidinoacetyl)-, hydrochloride is 20887-14-3.
The molecular formula of 4(1H)-Quinazolinone, 2,3-dihydro-3-phenyl-1-(piperidinoacetyl)-, hydrochloride is C21H24ClN3O2.
The molecular weight of 4(1H)-Quinazolinone, 2,3-dihydro-3-phenyl-1-(piperidinoacetyl)-, hydrochloride is 385.1557 g/mol.
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