9-methoxy-2,2-dimethyl-2H,5H,6H-pyrano[3,2-c]quinolin-5-one

• ChemBase ID: 185701
• Molecular Formular: C15H15NO3
• Molecular Mass: 257.2845
• Monoisotopic Mass: 257.10519335
• SMILES: c12c(c3c([nH]c1=O)ccc(c3)OC)OC(C=C2)(C)C
• Canonical SMILES: COc1ccc2c(c1)c1OC(C)(C)C=Cc1c(=O)[nH]2
• InChI: InChI=1S/C15H15NO3/c1-15(2)7-6-10-13(19-15)11-8-9(18-3)4-5-12(11)16-14(10)17/h4-8H,1-3H3,(H,16,17)
• InChIKey: IXRKDGGGFFCRIR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-methoxy-2,2-dimethyl-2H,5H,6H-pyrano[3,2-c]quinolin-5-one
• IUPAC Traditional name: 9-methoxy-2,2-dimethyl-6H-pyrano[3,2-c]quinolin-5-one

Database IDs

• PubChem SID: 164241611
• PubChem CID: 648601

CALCULATED PROPERTIES

• Acid pKa: 12.961574
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.6564753
• LogD (pH = 7.4): 1.6564742
• Log P: 1.6564753
• Molar Refractivity: 75.632 cm^3
• Polarizability: 27.58913 Å^3
• Polar Surface Area: 47.56 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Genuine Natural Compounds