2,4,6-trimethylfuro[3,2-c]quinoline

• ChemBase ID: 184641
• Molecular Formular: C14H13NO
• Molecular Mass: 211.25912
• Monoisotopic Mass: 211.09971404
• SMILES: c12c(c(nc3c1cccc3C)C)cc(o2)C
• Canonical SMILES: Cc1oc2c(c1)c(C)nc1c2cccc1C
• InChI: InChI=1S/C14H13NO/c1-8-5-4-6-11-13(8)15-10(3)12-7-9(2)16-14(11)12/h4-7H,1-3H3
• InChIKey: YDCHFQFWVBDHHB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4,6-trimethylfuro[3,2-c]quinoline
• IUPAC Traditional name: 2,4,6-trimethylfuro[3,2-c]quinoline

Database IDs

• PubChem SID: 164240551
• PubChem CID: 780971

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.1246996
• LogD (pH = 7.4): 3.1342535
• Log P: 3.1343768
• Molar Refractivity: 63.6028 cm^3
• Polarizability: 26.742504 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