TL;DR: 3-phenyl-2-[(E)-2-pyridin-2-ylethenyl]quinazolin-4-one (CAS 1399983-58-4) is a chemical compound with molecular formula C21H15N3O and molecular weight 325.12152 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-phenyl-2-[(E)-2-pyridin-2-ylethenyl]quinazolin-4-one
Also Known As: BAS 06969360, 3-phenyl-2-[(E)-2-pyridin-2-ylethenyl]quinazolin-4-one, 3-Phenyl-2-(2-pyridin-2-yl-vinyl)-3H-quinazolin-4-one, 3-phenyl-2-[(E)-2-(pyridin-2-yl)ethenyl]quinazolin-4(3H)-one, (E)-3-phenyl-2-(2-(pyridin-2-yl)vinyl)quinazolin-4(3H)-one
| Molecular Formula | C21H15N3O |
| Molecular Weight | 325.12152 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 45.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 325.12152 Da |
| Heavy Atoms | 25 |
| Complexity | 535.0 |
| SMILES | C1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)/C=C/C4=CC=CC=N4 |
| InChIKey | ZFEZSJMAONMYBM-BUHFOSPRSA-N |
The XLogP value of 3.5 indicates that 3-phenyl-2-[(E)-2-pyridin-2-ylethenyl]quinazolin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.6 Ų, 3-phenyl-2-[(E)-2-pyridin-2-ylethenyl]quinazolin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-phenyl-2-[(E)-2-pyridin-2-ylethenyl]quinazolin-4-one has 0 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 3-phenyl-2-[(E)-2-pyridin-2-ylethenyl]quinazolin-4-one is 1399983-58-4.
The molecular formula of 3-phenyl-2-[(E)-2-pyridin-2-ylethenyl]quinazolin-4-one is C21H15N3O.
The molecular weight of 3-phenyl-2-[(E)-2-pyridin-2-ylethenyl]quinazolin-4-one is 325.12152 g/mol.
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