2,4,6-trimethyl-2H,3H-furo[2,3-b]quinoline

• ChemBase ID: 192425
• Molecular Formular: C14H15NO
• Molecular Mass: 213.275
• Monoisotopic Mass: 213.11536411
• SMILES: c12c(c(c3c(n1)ccc(c3)C)C)CC(O2)C
• Canonical SMILES: CC1Oc2c(C1)c(C)c1c(n2)ccc(c1)C
• InChI: InChI=1S/C14H15NO/c1-8-4-5-13-11(6-8)10(3)12-7-9(2)16-14(12)15-13/h4-6,9H,7H2,1-3H3
• InChIKey: LJMHHJNVTDVBHH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4,6-trimethyl-2H,3H-furo[2,3-b]quinoline
• IUPAC Traditional name: 2,4,6-trimethyl-2H,3H-furo[2,3-b]quinoline

Database IDs

• PubChem SID: 164248335
• PubChem CID: 2937275

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.045605
• LogD (pH = 7.4): 4.050925
• Log P: 4.050993
• Molar Refractivity: 64.5668 cm^3
• Polarizability: 25.913033 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