TL;DR: 3-[(E)-furan-2-ylmethylideneamino]-2-methylquinazolin-4-one (CAS 127786-15-6) is a chemical compound with molecular formula C14H11N3O2 and molecular weight 253.08513 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(E)-furan-2-ylmethylideneamino]-2-methylquinazolin-4-one
Also Known As: SDCCGMLS-0064958.P001, BIM-0049454.P001, 3-[(E)-furan-2-ylmethylideneamino]-2-methylquinazolin-4-one, 3-[(2-furylmethylene)amino]-2-methyl-4(3H)-quinazolinone, (E)-3-((furan-2-ylmethylene)amino)-2-methylquinazolin-4(3H)-one
| Molecular Formula | C14H11N3O2 |
| Molecular Weight | 253.08513 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 58.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 253.08513 Da |
| Heavy Atoms | 19 |
| Complexity | 419.0 |
| SMILES | CC1=NC2=CC=CC=C2C(=O)N1/N=C/C3=CC=CO3 |
| InChIKey | FTFRZXDAQQUJAD-OQLLNIDSSA-N |
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(E)-furan-2-ylmethylideneamino]-2-methylquinazolin-4-one. With a topological polar surface area (TPSA) of 58.2 Ų, 3-[(E)-furan-2-ylmethylideneamino]-2-methylquinazolin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(E)-furan-2-ylmethylideneamino]-2-methylquinazolin-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-[(E)-furan-2-ylmethylideneamino]-2-methylquinazolin-4-one is 127786-15-6.
The molecular formula of 3-[(E)-furan-2-ylmethylideneamino]-2-methylquinazolin-4-one is C14H11N3O2.
The molecular weight of 3-[(E)-furan-2-ylmethylideneamino]-2-methylquinazolin-4-one is 253.08513 g/mol.
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