8-fluoro-4-(furan-2-yl)-2H,3H,3aH,4H,5H,9bH-furo[3,2-c]quinoline

• ChemBase ID: 16814
• Molecular Formular: C15H14FNO2
• Molecular Mass: 259.2755632
• Monoisotopic Mass: 259.10085691
• SMILES: C12C(c3c(NC1c1ccco1)ccc(c3)F)OCC2
• Canonical SMILES: Fc1ccc2c(c1)C1OCCC1C(N2)c1ccco1
• InChI: InChI=1S/C15H14FNO2/c16-9-3-4-12-11(8-9)15-10(5-7-19-15)14(17-12)13-2-1-6-18-13/h1-4,6,8,10,14-15,17H,5,7H2
• InChIKey: BGXDUIOHIMCBER-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-fluoro-4-(furan-2-yl)-2H,3H,3aH,4H,5H,9bH-furo[3,2-c]quinoline
• IUPAC Traditional name: 8-fluoro-4-(furan-2-yl)-2H,3H,3aH,4H,5H,9bH-furo[3,2-c]quinoline
• Synonyms: 8-Fluoro-4-furan-2-yl-2,3,3a,4,5,9b-hexahydro-furo[3,2-c]quinoline

Database IDs

• MDL Number: MFCD07186346
• PubChem SID: 160980121
• PubChem CID: 3154541

CALCULATED PROPERTIES

• Acid pKa: 16.44339
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.262844
• LogD (pH = 7.4): 2.2629802
• Log P: 2.262982
• Molar Refractivity: 69.9604 cm^3
• Polarizability: 26.046198 Å^3
• Polar Surface Area: 34.4 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false