8-fluoro-2-{2-[1-(2-methoxyethyl)-1H-1,2,3,4-tetrazol-5-yl]morpholine-4-carbonyl}quinoline

• ChemBase ID: 541811
• Molecular Formular: C18H19FN6O3
• Molecular Mass: 386.3802632
• Monoisotopic Mass: 386.15026672
• SMILES: c1(n(nnn1)CCOC)C1CN(C(=O)c2nc3c(F)cccc3cc2)CCO1
• Canonical SMILES: COCCn1nnnc1C1OCCN(C1)C(=O)c1ccc2c(n1)c(F)ccc2
• InChI: InChI=1S/C18H19FN6O3/c1-27-9-8-25-17(21-22-23-25)15-11-24(7-10-28-15)18(26)14-6-5-12-3-2-4-13(19)16(12)20-14/h2-6,15H,7-11H2,1H3
• InChIKey: OYYXNEOEXHDSQC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-fluoro-2-{2-[1-(2-methoxyethyl)-1H-1,2,3,4-tetrazol-5-yl]morpholine-4-carbonyl}quinoline
• IUPAC Traditional name: 8-fluoro-2-{2-[1-(2-methoxyethyl)-1,2,3,4-tetrazol-5-yl]morpholine-4-carbonyl}quinoline
• Synonyms: 8-fluoro-2-({2-[1-(2-methoxyethyl)-1H-tetrazol-5-yl]morpholin-4-yl}carbonyl)quinoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 7
• H Donor: 0
• LogD (pH = 5.5): 1.081031
• LogD (pH = 7.4): 1.081031
• Log P: 1.081031
• Molar Refractivity: 109.975 cm^3
• Polarizability: 37.662193 Å^3
• Polar Surface Area: 95.26 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: -0.58
• LOG S: -2.83
• Polar Surface Area: 95.26 Å^2
• Rotatable Bonds: 5