2,4,8-trimethyl-2H,3H-furo[2,3-b]quinoline

• ChemBase ID: 192313
• Molecular Formular: C14H15NO
• Molecular Mass: 213.275
• Monoisotopic Mass: 213.11536411
• SMILES: c12nc3c(c(c1CC(O2)C)C)cccc3C
• Canonical SMILES: CC1Oc2c(C1)c(C)c1c(n2)c(C)ccc1
• InChI: InChI=1S/C14H15NO/c1-8-5-4-6-11-10(3)12-7-9(2)16-14(12)15-13(8)11/h4-6,9H,7H2,1-3H3
• InChIKey: GHSCUKABNMKFNW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4,8-trimethyl-2H,3H-furo[2,3-b]quinoline
• IUPAC Traditional name: 2,4,8-trimethyl-2H,3H-furo[2,3-b]quinoline

Database IDs

• PubChem SID: 164248223
• PubChem CID: 655331

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.046905
• LogD (pH = 7.4): 4.0509415
• Log P: 4.050993
• Molar Refractivity: 64.5668 cm^3
• Polarizability: 25.914585 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