7-fluoro-4-{2-[1-(2-methoxyethyl)-1H-1,2,3,4-tetrazol-5-yl]morpholin-4-yl}quinazoline

• ChemBase ID: 666408
• Molecular Formular: C16H18FN7O2
• Molecular Mass: 359.3582232
• Monoisotopic Mass: 359.15060107
• SMILES: c1(n(nnn1)CCOC)C1CN(c2c3c(ncn2)cc(cc3)F)CCO1
• Canonical SMILES: COCCn1nnnc1C1OCCN(C1)c1ncnc2c1ccc(c2)F
• InChI: InChI=1S/C16H18FN7O2/c1-25-6-5-24-16(20-21-22-24)14-9-23(4-7-26-14)15-12-3-2-11(17)8-13(12)18-10-19-15/h2-3,8,10,14H,4-7,9H2,1H3
• InChIKey: HCYBKAGIWHEUKC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-fluoro-4-{2-[1-(2-methoxyethyl)-1H-1,2,3,4-tetrazol-5-yl]morpholin-4-yl}quinazoline
• IUPAC Traditional name: 7-fluoro-4-{2-[1-(2-methoxyethyl)-1,2,3,4-tetrazol-5-yl]morpholin-4-yl}quinazoline
• Synonyms: 7-fluoro-4-{2-[1-(2-methoxyethyl)-1H-tetrazol-5-yl]morpholin-4-yl}quinazoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 8
• H Donor: 0
• LogD (pH = 5.5): 1.3699372
• LogD (pH = 7.4): 1.393542
• Log P: 1.3938516
• Molar Refractivity: 105.0385 cm^3
• Polarizability: 35.05161 Å^3
• Polar Surface Area: 91.08 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: -0.21
• LOG S: -2.2
• Polar Surface Area: 91.08 Å^2
• Rotatable Bonds: 5