8-chloro-6-methyl-2H-[1,3]dioxolo[4,5-g]quinoline

• ChemBase ID: 308999
• Molecular Formular: C11H8ClNO2
• Molecular Mass: 221.63972
• Monoisotopic Mass: 221.02435618
• SMILES: c12c(cc3c(c2)OCO3)c(cc(n1)C)Cl
• Canonical SMILES: Cc1cc(Cl)c2c(n1)cc1c(c2)OCO1
• InChI: InChI=1S/C11H8ClNO2/c1-6-2-8(12)7-3-10-11(15-5-14-10)4-9(7)13-6/h2-4H,5H2,1H3
• InChIKey: FMBGYAMLOKMHFK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-chloro-6-methyl-2H-[1,3]dioxolo[4,5-g]quinoline
• IUPAC Traditional name: 8-chloro-6-methyl-2H-[1,3]dioxolo[4,5-g]quinoline
• Synonyms: 8-chloro-6-methyl[1,3]dioxolo[4,5-g]quinoline

Database IDs

• CAS Number: 50593-65-2
• MDL Number: MFCD11868303

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.4544945
• LogD (pH = 7.4): 2.4890888
• Log P: 2.4895487
• Molar Refractivity: 55.1425 cm^3
• Polarizability: 23.03696 Å^3
• Polar Surface Area: 31.35 Å^2