2,4,8-trimethylfuro[3,2-c]quinoline

• ChemBase ID: 185443
• Molecular Formular: C14H13NO
• Molecular Mass: 211.25912
• Monoisotopic Mass: 211.09971404
• SMILES: c12c(c(nc3c1cc(cc3)C)C)cc(o2)C
• Canonical SMILES: Cc1ccc2c(c1)c1oc(cc1c(n2)C)C
• InChI: InChI=1S/C14H13NO/c1-8-4-5-13-12(6-8)14-11(10(3)15-13)7-9(2)16-14/h4-7H,1-3H3
• InChIKey: XFJIWMACJMSMBL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4,8-trimethylfuro[3,2-c]quinoline
• IUPAC Traditional name: 2,4,8-trimethylfuro[3,2-c]quinoline

Database IDs

• PubChem SID: 164241353
• PubChem CID: 760879

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.121192
• LogD (pH = 7.4): 3.1342082
• Log P: 3.1343768
• Molar Refractivity: 63.6028 cm^3
• Polarizability: 26.741066 Å^3
• Polar Surface Area: 26.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds