4-(5-fluoro-2-methoxyphenyl)-2-methylquinazoline

• ChemBase ID: 567237
• Molecular Formular: C16H13FN2O
• Molecular Mass: 268.2856232
• Monoisotopic Mass: 268.10119127
• SMILES: c1(c2c(ccc(c2)F)OC)nc(nc2c1cccc2)C
• Canonical SMILES: COc1ccc(cc1c1nc(C)nc2c1cccc2)F
• InChI: InChI=1S/C16H13FN2O/c1-10-18-14-6-4-3-5-12(14)16(19-10)13-9-11(17)7-8-15(13)20-2/h3-9H,1-2H3
• InChIKey: MFFCGCFQAUZHOD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(5-fluoro-2-methoxyphenyl)-2-methylquinazoline
• IUPAC Traditional name: 4-(5-fluoro-2-methoxyphenyl)-2-methylquinazoline
• Synonyms: 4-(5-fluoro-2-methoxyphenyl)-2-methylquinazoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.9374874
• LogD (pH = 7.4): 3.9376576
• Log P: 3.9376597
• Molar Refractivity: 74.8687 cm^3
• Polarizability: 30.967888 Å^3
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.77
• LOG S: -3.52
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 2