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

• ChemBase ID: 188414
• Molecular Formular: C14H15NO3
• Molecular Mass: 245.2738
• Monoisotopic Mass: 245.10519335
• SMILES: c12c(c(nc3c1cccc3OC)C)CC(O2)CO
• Canonical SMILES: OCC1Cc2c(O1)c1cccc(c1nc2C)OC
• InChI: InChI=1S/C14H15NO3/c1-8-11-6-9(7-16)18-14(11)10-4-3-5-12(17-2)13(10)15-8/h3-5,9,16H,6-7H2,1-2H3
• InChIKey: AHRUYAPSQSWEIJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {6-methoxy-4-methyl-2H,3H-furo[3,2-c]quinolin-2-yl}methanol
• IUPAC Traditional name: {6-methoxy-4-methyl-2H,3H-furo[3,2-c]quinolin-2-yl}methanol

Database IDs

• PubChem SID: 164244324
• PubChem CID: 618527

CALCULATED PROPERTIES

• Acid pKa: 14.64723
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.2321078
• LogD (pH = 7.4): 1.354663
• Log P: 1.3564817
• Molar Refractivity: 66.7693 cm^3
• Polarizability: 27.236324 Å^3
• Polar Surface Area: 51.58 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds