2,4-dimethyl-2H,3H-furo[2,3-b]quinoline

• ChemBase ID: 191905
• Molecular Formular: C13H13NO
• Molecular Mass: 199.24842
• Monoisotopic Mass: 199.09971404
• SMILES: c12c(c(c3c(n1)cccc3)C)CC(O2)C
• Canonical SMILES: CC1Cc2c(O1)nc1c(c2C)cccc1
• InChI: InChI=1S/C13H13NO/c1-8-7-11-9(2)10-5-3-4-6-12(10)14-13(11)15-8/h3-6,8H,7H2,1-2H3
• InChIKey: HPSNIUICAUEOEN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dimethyl-2H,3H-furo[2,3-b]quinoline
• IUPAC Traditional name: 2,4-dimethyl-2H,3H-furo[2,3-b]quinoline

Database IDs

• PubChem SID: 164247815
• PubChem CID: 3773493

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.5337138
• LogD (pH = 7.4): 3.5375228
• Log P: 3.5375717
• Molar Refractivity: 59.5256 cm^3
• Polarizability: 24.148579 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds