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

• ChemBase ID: 182837
• Molecular Formular: C17H11NO
• Molecular Mass: 245.27534
• Monoisotopic Mass: 245.08406398
• SMILES: c12c(C(=O)c3c1cc(cc3)C)cc1c(n2)cccc1
• Canonical SMILES: Cc1ccc2c(c1)c1nc3ccccc3cc1C2=O
• InChI: InChI=1S/C17H11NO/c1-10-6-7-12-13(8-10)16-14(17(12)19)9-11-4-2-3-5-15(11)18-16/h2-9H,1H3
• InChIKey: FVTYVLDLZBEBQI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methyl-11H-indeno[1,2-b]quinolin-11-one
• IUPAC Traditional name: 3-methylindeno[1,2-b]quinolin-11-one

Database IDs

• PubChem SID: 164238747
• PubChem CID: 684253

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.163297
• LogD (pH = 7.4): 4.163502
• Log P: 4.1635046
• Molar Refractivity: 74.3022 cm^3
• Polarizability: 31.17882 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