2,2,6-trimethyl-2H,5H,6H-pyrano[3,2-c]quinolin-5-one

• ChemBase ID: 306269
• Molecular Formular: C15H15NO2
• Molecular Mass: 241.2851
• Monoisotopic Mass: 241.11027873
• SMILES: c1ccc2c(c1)c1c(c(=O)n2C)C=CC(O1)(C)C
• Canonical SMILES: Cn1c(=O)c2C=CC(Oc2c2c1cccc2)(C)C
• InChI: InChI=1S/C15H15NO2/c1-15(2)9-8-11-13(18-15)10-6-4-5-7-12(10)16(3)14(11)17/h4-9H,1-3H3
• InChIKey: RJZFGBNKPOVCHQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2,6-trimethyl-2H,5H,6H-pyrano[3,2-c]quinolin-5-one
• IUPAC Traditional name: N-methylflindersine
• Synonyms: N-Methylflindersine

Database IDs

• CAS Number: 50333-13-6

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.6782125
• LogD (pH = 7.4): 1.6782126
• Log P: 1.6782126
• Molar Refractivity: 72.2847 cm^3
• Polarizability: 26.912504 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Powder