TL;DR: 4(3H)-Quinazolinone, 3-(4-phenyl-1-piperazinylmethyl)-, dihydrochloride (CAS 68638-26-6) is a chemical compound with molecular formula C19H22Cl2N4O and molecular weight 392.11707 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(4-phenylpiperazin-1-yl)methyl]quinazolin-4-one;dihydrochloride
Also Known As: 4(3H)-Quinazolinone, 3-(4-phenyl-1-piperazinylmethyl)-, dihydrochloride, 3-(4-Phenyl-1-piperazinylmethyl)-4(3H)-quinazolinone dihydrochloride, 3-[(4-phenylpiperazin-1-yl)methyl]quinazolin-4-one dihydrochloride, 3-[(4-Phenylpiperazin-1-yl)methyl]quinazolin-4(3H)-one--hydrogen chloride (1/2)
| Molecular Formula | C19H22Cl2N4O |
| Molecular Weight | 392.11707 g/mol |
| XLogP | 3.02 |
| Topological Polar Surface Area (TPSA) | 39.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 392.11707 Da |
| Heavy Atoms | 26 |
| Complexity | 466.0 |
| SMILES | C1CN(CCN1CN2C=NC3=CC=CC=C3C2=O)C4=CC=CC=C4.Cl.Cl |
| InChIKey | MWMCZSIHSBNMNY-UHFFFAOYSA-N |
The XLogP value of 3.02 indicates that 4(3H)-Quinazolinone, 3-(4-phenyl-1-piperazinylmethyl)-, dihydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.2 Ų, 4(3H)-Quinazolinone, 3-(4-phenyl-1-piperazinylmethyl)-, dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4(3H)-Quinazolinone, 3-(4-phenyl-1-piperazinylmethyl)-, dihydrochloride has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4(3H)-Quinazolinone, 3-(4-phenyl-1-piperazinylmethyl)-, dihydrochloride is 68638-26-6.
The molecular formula of 4(3H)-Quinazolinone, 3-(4-phenyl-1-piperazinylmethyl)-, dihydrochloride is C19H22Cl2N4O.
The molecular weight of 4(3H)-Quinazolinone, 3-(4-phenyl-1-piperazinylmethyl)-, dihydrochloride is 392.11707 g/mol.
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