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

• ChemBase ID: 186915
• Molecular Formular: C14H15NO
• Molecular Mass: 213.275
• Monoisotopic Mass: 213.11536411
• SMILES: c12c(c(nc3c1cc(cc3)C)C)CC(O2)C
• Canonical SMILES: CC1Cc2c(O1)c1cc(C)ccc1nc2C
• InChI: InChI=1S/C14H15NO/c1-8-4-5-13-12(6-8)14-11(10(3)15-13)7-9(2)16-14/h4-6,9H,7H2,1-3H3
• InChIKey: KZULBMIDVLXBEZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164242825
• PubChem CID: 2877571

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.7956318
• LogD (pH = 7.4): 2.9554417
• Log P: 3.0744843
• Molar Refractivity: 63.8036 cm^3
• Polarizability: 25.911722 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