6-fluoro-3-[2-(pyridin-2-yl)pyrrolidine-1-carbonyl]quinolin-4-ol

• ChemBase ID: 356201
• Molecular Formular: C19H16FN3O2
• Molecular Mass: 337.3476432
• Monoisotopic Mass: 337.12265499
• SMILES: C(=O)(c1c(c2c(nc1)ccc(c2)F)O)N1C(c2ncccc2)CCC1
• Canonical SMILES: Fc1ccc2c(c1)c(O)c(cn2)C(=O)N1CCCC1c1ccccn1
• InChI: InChI=1S/C19H16FN3O2/c20-12-6-7-15-13(10-12)18(24)14(11-22-15)19(25)23-9-3-5-17(23)16-4-1-2-8-21-16/h1-2,4,6-8,10-11,17H,3,5,9H2,(H,22,24)
• InChIKey: QONJADFPNVQFCM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-fluoro-3-[2-(pyridin-2-yl)pyrrolidine-1-carbonyl]quinolin-4-ol
• IUPAC Traditional name: 6-fluoro-3-[2-(pyridin-2-yl)pyrrolidine-1-carbonyl]quinolin-4-ol
• Synonyms: 6-fluoro-3-{[2-(2-pyridinyl)-1-pyrrolidinyl]carbonyl}-4-quinolinol

CALCULATED PROPERTIES

JChem

• Acid pKa: 8.851796
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.1094348
• LogD (pH = 7.4): 3.1089537
• Log P: 3.1240559
• Molar Refractivity: 90.2682 cm^3
• Polarizability: 35.36648 Å^3
• Polar Surface Area: 66.32 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.69
• LOG S: -2.66
• Polar Surface Area: 66.32 Å^2
• Rotatable Bonds: 2