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

• ChemBase ID: 186594
• Molecular Formular: C13H13NO
• Molecular Mass: 199.24842
• Monoisotopic Mass: 199.09971404
• SMILES: c12c(c(nc3c1cccc3)C)CC(O2)C
• Canonical SMILES: CC1Cc2c(O1)c1ccccc1nc2C
• InChI: InChI=1S/C13H13NO/c1-8-7-11-9(2)14-12-6-4-3-5-10(12)13(11)15-8/h3-6,8H,7H2,1-2H3
• InChIKey: AASRIDAWFHRICD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164242504
• PubChem CID: 608032

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.3635374
• LogD (pH = 7.4): 2.4671247
• Log P: 2.5610628
• Molar Refractivity: 58.7624 cm^3
• Polarizability: 24.147232 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