2,8-dimethyl-4-[(E)-2-phenylethenyl]-2H,3H-furo[3,2-c]quinoline

• ChemBase ID: 184387
• Molecular Formular: C21H19NO
• Molecular Mass: 301.38166
• Monoisotopic Mass: 301.14666423
• SMILES: c12c(c(nc3c1cc(cc3)C)/C=C/c1ccccc1)CC(O2)C
• Canonical SMILES: CC1Cc2c(O1)c1cc(C)ccc1nc2/C=C/c1ccccc1
• InChI: InChI=1S/C21H19NO/c1-14-8-10-19-17(12-14)21-18(13-15(2)23-21)20(22-19)11-9-16-6-4-3-5-7-16/h3-12,15H,13H2,1-2H3/b11-9+
• InChIKey: RFWUNWQCELDUNB-PKNBQFBNSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,8-dimethyl-4-[(E)-2-phenylethenyl]-2H,3H-furo[3,2-c]quinoline
• IUPAC Traditional name: 2,8-dimethyl-4-[(E)-2-phenylethenyl]-2H,3H-furo[3,2-c]quinoline

Database IDs

• PubChem SID: 164240297
• PubChem CID: 5903034

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.02726
• LogD (pH = 7.4): 5.504986
• Log P: 5.5166163
• Molar Refractivity: 94.2198 cm^3
• Polarizability: 37.4103 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds