7-fluoro-N,2-dimethyl-N-{[3-(pyridin-2-yl)-1,2-oxazol-5-yl]methyl}quinoline-4-carboxamide

• ChemBase ID: 762936
• Molecular Formular: C21H17FN4O2
• Molecular Mass: 376.3836832
• Monoisotopic Mass: 376.13355402
• SMILES: c1(C(=O)N(Cc2cc(no2)c2ncccc2)C)c2c(nc(c1)C)cc(cc2)F
• Canonical SMILES: Fc1ccc2c(c1)nc(cc2C(=O)N(Cc1onc(c1)c1ccccn1)C)C
• InChI: InChI=1S/C21H17FN4O2/c1-13-9-17(16-7-6-14(22)10-19(16)24-13)21(27)26(2)12-15-11-20(25-28-15)18-5-3-4-8-23-18/h3-11H,12H2,1-2H3
• InChIKey: AZRLTAIIHZAVMK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-fluoro-N,2-dimethyl-N-{[3-(pyridin-2-yl)-1,2-oxazol-5-yl]methyl}quinoline-4-carboxamide
• IUPAC Traditional name: 7-fluoro-N,2-dimethyl-N-{[3-(pyridin-2-yl)-1,2-oxazol-5-yl]methyl}quinoline-4-carboxamide
• Synonyms: 7-fluoro-N,2-dimethyl-N-{[3-(2-pyridinyl)-5-isoxazolyl]methyl}-4-quinolinecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.912095
• LogD (pH = 7.4): 2.9132237
• Log P: 2.9132383
• Molar Refractivity: 101.8264 cm^3
• Polarizability: 40.51022 Å^3
• Polar Surface Area: 72.12 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.06
• LOG S: -2.85
• Polar Surface Area: 72.12 Å^2
• Rotatable Bonds: 4