5-fluoro-4-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]quinazoline

• ChemBase ID: 391146
• Molecular Formular: C19H19FN4O
• Molecular Mass: 338.3787632
• Monoisotopic Mass: 338.15428947
• SMILES: c1(c2c(F)cccc2ncn1)N1CCC(CC1)OCc1cnccc1
• Canonical SMILES: Fc1cccc2c1c(ncn2)N1CCC(CC1)OCc1cccnc1
• InChI: InChI=1S/C19H19FN4O/c20-16-4-1-5-17-18(16)19(23-13-22-17)24-9-6-15(7-10-24)25-12-14-3-2-8-21-11-14/h1-5,8,11,13,15H,6-7,9-10,12H2
• InChIKey: UOJBDFHRSOPJEI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-fluoro-4-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]quinazoline
• IUPAC Traditional name: 5-fluoro-4-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]quinazoline
• Synonyms: 5-fluoro-4-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]quinazoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.6388628
• LogD (pH = 7.4): 2.7369099
• Log P: 2.7382526
• Molar Refractivity: 94.6902 cm^3
• Polarizability: 36.53897 Å^3
• Polar Surface Area: 51.14 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.02
• LOG S: -3.4
• Polar Surface Area: 51.14 Å^2
• Rotatable Bonds: 4