TL;DR: 3-{[(E)-(4-nitrophenyl)methylidene]amino}-2-phenylquinazolin-4(3H)-one (CAS 1421614-86-9) is a chemical compound with molecular formula C21H14N4O3 and molecular weight 370.1066 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(E)-(4-nitrophenyl)methylideneamino]-2-phenylquinazolin-4-one
Also Known As: 3-((4-Nitrobenzylidene)amino)-2-phenylquinazolin-4(3H)-one, 3-{[(E)-(4-nitrophenyl)methylidene]amino}-2-phenylquinazolin-4(3H)-one, 3-[(4-nitrophenyl)methylideneamino]-2-phenylquinazolin-4-one, (E)-3-((4-nitrobenzylidene)amino)-2-phenylquinazolin-4(3H)-one, 3-[(E)-(4-nitrophenyl)methylideneamino]-2-phenylquinazolin-4-one
| Molecular Formula | C21H14N4O3 |
| Molecular Weight | 370.1066 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 90.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 370.1066 Da |
| Heavy Atoms | 28 |
| Complexity | 643.0 |
| SMILES | C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2/N=C/C4=CC=C(C=C4)[N+](=O)[O-] |
| InChIKey | AVCBRLPBAJRNON-HYARGMPZSA-N |
The XLogP value of 4.0 indicates that 3-{[(E)-(4-nitrophenyl)methylidene]amino}-2-phenylquinazolin-4(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{[(E)-(4-nitrophenyl)methylidene]amino}-2-phenylquinazolin-4(3H)-one. Following Lipinski's Rule of Five, 3-{[(E)-(4-nitrophenyl)methylidene]amino}-2-phenylquinazolin-4(3H)-one has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-{[(E)-(4-nitrophenyl)methylidene]amino}-2-phenylquinazolin-4(3H)-one is 1421614-86-9.
The molecular formula of 3-{[(E)-(4-nitrophenyl)methylidene]amino}-2-phenylquinazolin-4(3H)-one is C21H14N4O3.
The molecular weight of 3-{[(E)-(4-nitrophenyl)methylidene]amino}-2-phenylquinazolin-4(3H)-one is 370.1066 g/mol.
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