4-chloro-2-(4-fluorophenyl)-6-methylquinazoline

• ChemBase ID: 812086
• Molecular Formular: C15H10ClFN2
• Molecular Mass: 272.7047032
• Monoisotopic Mass: 272.05165423
• SMILES: c1(ccc2nc(nc(c2c1)Cl)c1ccc(cc1)F)C
• Canonical SMILES: Fc1ccc(cc1)c1nc(Cl)c2c(n1)ccc(c2)C
• InChI: InChI=1S/C15H10ClFN2/c1-9-2-7-13-12(8-9)14(16)19-15(18-13)10-3-5-11(17)6-4-10/h2-8H,1H3
• InChIKey: AFKGWMYNJCOWDJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-2-(4-fluorophenyl)-6-methylquinazoline
• IUPAC Traditional name: 4-chloro-2-(4-fluorophenyl)-6-methylquinazoline
• Synonyms: 4-CHLORO-2-(4-FLUORO-PHENYL)-6-METHYL-QUINAZOLINE

Database IDs

• CAS Number: 885277-38-3

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.2903843
• LogD (pH = 7.4): 5.2904105
• Log P: 5.290411
• Molar Refractivity: 85.3353 cm^3
• Polarizability: 29.67463 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 98%