3-((4-Chlorobenzylidene)amino)-2-methylquinazolin-4(3H)-one
TL;DR: 3-((4-Chlorobenzylidene)amino)-2-methylquinazolin-4(3H)-one (CAS 1421614-95-0) is a chemical compound with molecular formula C16H12ClN3O and molecular weight 297.0669 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(E)-(4-chlorophenyl)methylideneamino]-2-methylquinazolin-4-one
Also Known As: 3-((4-Chlorobenzylidene)amino)-2-methylquinazolin-4(3H)-one, N-tert-butyloxycarbonyl 2-naphthylalanine methyl ester, 3-[(4-chlorophenyl)methylideneamino]-2-methylquinazolin-4-one, (E)-3-((4-chlorobenzylidene)amino)-2-methylquinazolin-4(3H)-one, 3-[(E)-(4-chlorophenyl)methylideneamino]-2-methylquinazolin-4-one
Technical Specifications
| Molecular Formula | C16H12ClN3O |
| Molecular Weight | 297.0669 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 45.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 297.0669 Da |
| Heavy Atoms | 21 |
| Complexity | 454.0 |
| SMILES | CC1=NC2=CC=CC=C2C(=O)N1/N=C/C3=CC=C(C=C3)Cl |
| InChIKey | DEMLVCARYSKNDB-VCHYOVAHSA-N |
Chemical Property Profile of 3-((4-Chlorobenzylidene)amino)-2-methylquinazolin-4(3H)-one
Property Insights of 3-((4-Chlorobenzylidene)amino)-2-methylquinazolin-4(3H)-one
The XLogP value of 3.1 indicates that 3-((4-Chlorobenzylidene)amino)-2-methylquinazolin-4(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.0 Ų, 3-((4-Chlorobenzylidene)amino)-2-methylquinazolin-4(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-((4-Chlorobenzylidene)amino)-2-methylquinazolin-4(3H)-one has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-((4-Chlorobenzylidene)amino)-2-methylquinazolin-4(3H)-one?
The CAS number of 3-((4-Chlorobenzylidene)amino)-2-methylquinazolin-4(3H)-one is 1421614-95-0.
What is the molecular formula of 3-((4-Chlorobenzylidene)amino)-2-methylquinazolin-4(3H)-one?
The molecular formula of 3-((4-Chlorobenzylidene)amino)-2-methylquinazolin-4(3H)-one is C16H12ClN3O.
What is the molecular weight of 3-((4-Chlorobenzylidene)amino)-2-methylquinazolin-4(3H)-one?
The molecular weight of 3-((4-Chlorobenzylidene)amino)-2-methylquinazolin-4(3H)-one is 297.0669 g/mol.
Where can I buy 3-((4-Chlorobenzylidene)amino)-2-methylquinazolin-4(3H)-one?
You can request a quote for 3-((4-Chlorobenzylidene)amino)-2-methylquinazolin-4(3H)-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-((4-Chlorobenzylidene)amino)-2-methylquinazolin-4(3H)-one?
Yes, CoreyChem provides custom synthesis services for 3-((4-Chlorobenzylidene)amino)-2-methylquinazolin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.