7-methyl-11H-indeno[1,2-b]quinolin-11-one

• ChemBase ID: 191784
• Molecular Formular: C17H11NO
• Molecular Mass: 245.27534
• Monoisotopic Mass: 245.08406398
• SMILES: c12c(nc3c(c2)ccc(c3)C)c2c(C1=O)cccc2
• Canonical SMILES: Cc1ccc2c(c1)nc1c(c2)C(=O)c2c1cccc2
• InChI: InChI=1S/C17H11NO/c1-10-6-7-11-9-14-16(18-15(11)8-10)12-4-2-3-5-13(12)17(14)19/h2-9H,1H3
• InChIKey: UKHKOHUEPNXICX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methyl-11H-indeno[1,2-b]quinolin-11-one
• IUPAC Traditional name: 7-methylindeno[1,2-b]quinolin-11-one

Database IDs

• PubChem SID: 164247694
• PubChem CID: 905955

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.1630087
• LogD (pH = 7.4): 4.1634984
• Log P: 4.1635046
• Molar Refractivity: 74.3022 cm^3
• Polarizability: 31.176956 Å^3
• Polar Surface Area: 29.96 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds