TL;DR: 3-(4-methylphenyl)-2-[(E)-2-(3-nitrophenyl)ethenyl]quinazolin-4-one (CAS 142888-60-6) is a chemical compound with molecular formula C23H17N3O3 and molecular weight 383.12698 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-methylphenyl)-2-[(E)-2-(3-nitrophenyl)ethenyl]quinazolin-4-one
Also Known As: BAS 01258584, 3-(4-methylphenyl)-2-[(E)-2-(3-nitrophenyl)ethenyl]quinazolin-4-one, 2-(2-{3-nitrophenyl}vinyl)-3-(4-methylphenyl)-4(3H)-quinazolinone, AB00097661-01, AJ-292/12443104
| Molecular Formula | C23H17N3O3 |
| Molecular Weight | 383.12698 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 78.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 383.12698 Da |
| Heavy Atoms | 29 |
| Complexity | 675.0 |
| SMILES | CC1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)/C=C/C4=CC(=CC=C4)[N+](=O)[O-] |
| InChIKey | RRWKDHOZPAVOKQ-SDNWHVSQSA-N |
The XLogP value of 4.7 indicates that 3-(4-methylphenyl)-2-[(E)-2-(3-nitrophenyl)ethenyl]quinazolin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-methylphenyl)-2-[(E)-2-(3-nitrophenyl)ethenyl]quinazolin-4-one. Following Lipinski's Rule of Five, 3-(4-methylphenyl)-2-[(E)-2-(3-nitrophenyl)ethenyl]quinazolin-4-one has 0 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 3-(4-methylphenyl)-2-[(E)-2-(3-nitrophenyl)ethenyl]quinazolin-4-one is 142888-60-6.
The molecular formula of 3-(4-methylphenyl)-2-[(E)-2-(3-nitrophenyl)ethenyl]quinazolin-4-one is C23H17N3O3.
The molecular weight of 3-(4-methylphenyl)-2-[(E)-2-(3-nitrophenyl)ethenyl]quinazolin-4-one is 383.12698 g/mol.
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