(11E)-11-[(3,4-dimethoxyphenyl)methylidene]-3-methyl-11H-indeno[1,2-b]quinoline

• ChemBase ID: 185035
• Molecular Formular: C26H21NO2
• Molecular Mass: 379.45044
• Monoisotopic Mass: 379.15722892
• SMILES: C\1(=C\c2cc(c(cc2)OC)OC)/c2c(c3c1ccc(c3)C)nc1c(c2)cccc1
• Canonical SMILES: COc1ccc(cc1OC)/C=C\1/c2cc3ccccc3nc2c2c1ccc(c2)C
• InChI: InChI=1S/C26H21NO2/c1-16-8-10-19-20(13-17-9-11-24(28-2)25(14-17)29-3)22-15-18-6-4-5-7-23(18)27-26(22)21(19)12-16/h4-15H,1-3H3/b20-13+
• InChIKey: VTUDNNCUNGJKLJ-DEDYPNTBSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (11E)-11-[(3,4-dimethoxyphenyl)methylidene]-3-methyl-11H-indeno[1,2-b]quinoline
• IUPAC Traditional name: (11E)-11-[(3,4-dimethoxyphenyl)methylidene]-3-methylindeno[1,2-b]quinoline

Database IDs

• PubChem SID: 164240945
• PubChem CID: 1788245

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 6.16037
• LogD (pH = 7.4): 6.16183
• Log P: 6.161849
• Molar Refractivity: 125.6606 cm^3
• Polarizability: 47.331745 Å^3
• Polar Surface Area: 31.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds