{8-bromo-4-methyl-2H,3H-furo[3,2-c]quinolin-2-yl}methanol

• ChemBase ID: 190189
• Molecular Formular: C13H12BrNO2
• Molecular Mass: 294.14388
• Monoisotopic Mass: 293.00514063
• SMILES: c12c(c(nc3c1cc(cc3)Br)C)CC(O2)CO
• Canonical SMILES: Cc1nc2ccc(cc2c2c1CC(O2)CO)Br
• InChI: InChI=1S/C13H12BrNO2/c1-7-10-5-9(6-16)17-13(10)11-4-8(14)2-3-12(11)15-7/h2-4,9,16H,5-6H2,1H3
• InChIKey: ZQEJVMRULGYTGX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {8-bromo-4-methyl-2H,3H-furo[3,2-c]quinolin-2-yl}methanol
• IUPAC Traditional name: {8-bromo-4-methyl-2H,3H-furo[3,2-c]quinolin-2-yl}methanol

Database IDs

• PubChem SID: 164246099
• PubChem CID: 4367682

CALCULATED PROPERTIES

• Acid pKa: 14.64723
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.7789594
• LogD (pH = 7.4): 2.270675
• Log P: 2.2829056
• Molar Refractivity: 67.9289 cm^3
• Polarizability: 27.443352 Å^3
• Polar Surface Area: 42.35 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds