8-methoxy-9-methyl-4H,9H-furo[2,3-b]quinolin-4-one

• ChemBase ID: 182218
• Molecular Formular: C13H11NO3
• Molecular Mass: 229.23134
• Monoisotopic Mass: 229.07389322
• SMILES: c12c(c(=O)c3c(n1C)c(OC)ccc3)cco2
• Canonical SMILES: COc1cccc2c1n(C)c1c(c2=O)cco1
• InChI: InChI=1S/C13H11NO3/c1-14-11-8(4-3-5-10(11)16-2)12(15)9-6-7-17-13(9)14/h3-7H,1-2H3
• InChIKey: VNBUMBNLPGLBML-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-methoxy-9-methyl-4H,9H-furo[2,3-b]quinolin-4-one
• IUPAC Traditional name: 8-methoxy-9-methylfuro[2,3-b]quinolin-4-one

Database IDs

• PubChem SID: 164238128
• PubChem CID: 927945

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.1948202
• LogD (pH = 7.4): 2.1948202
• Log P: 2.1948202
• Molar Refractivity: 62.1883 cm^3
• Polarizability: 23.622837 Å^3
• Polar Surface Area: 42.68 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Genuine Natural Compounds