8-(4-cyclopropanecarbonyl-3-fluorophenyl)quinoline

• ChemBase ID: 860514
• Molecular Formular: C19H14FNO
• Molecular Mass: 291.3189632
• Monoisotopic Mass: 291.10594229
• SMILES: c1(C(=O)C2CC2)c(cc(c2c3ncccc3ccc2)cc1)F
• Canonical SMILES: O=C(c1ccc(cc1F)c1cccc2c1nccc2)C1CC1
• InChI: InChI=1S/C19H14FNO/c20-17-11-14(8-9-16(17)19(22)13-6-7-13)15-5-1-3-12-4-2-10-21-18(12)15/h1-5,8-11,13H,6-7H2
• InChIKey: NYTFMCGTTSJGOS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(4-cyclopropanecarbonyl-3-fluorophenyl)quinoline
• IUPAC Traditional name: 8-(4-cyclopropanecarbonyl-3-fluorophenyl)quinoline
• Synonyms: cyclopropyl(2-fluoro-4-quinolin-8-ylphenyl)methanone

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.995836
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.2473164
• LogD (pH = 7.4): 4.2581315
• Log P: 4.2582717
• Molar Refractivity: 83.1339 cm^3
• Polarizability: 34.290363 Å^3
• Polar Surface Area: 29.96 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.58
• LOG S: -3.53
• Polar Surface Area: 29.96 Å^2
• Rotatable Bonds: 3