8-methyl-2-(5-methylfuran-2-yl)quinoline-4-carbonyl chloride

• ChemBase ID: 56409
• Molecular Formular: C16H12ClNO2
• Molecular Mass: 285.72498
• Monoisotopic Mass: 285.05565631
• SMILES: n1c2c(c(cc1c1oc(cc1)C)C(=O)Cl)cccc2C
• Canonical SMILES: Cc1ccc(o1)c1cc(C(=O)Cl)c2c(n1)c(C)ccc2
• InChI: InChI=1S/C16H12ClNO2/c1-9-4-3-5-11-12(16(17)19)8-13(18-15(9)11)14-7-6-10(2)20-14/h3-8H,1-2H3
• InChIKey: YUOREWZHOQQZTQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-methyl-2-(5-methylfuran-2-yl)quinoline-4-carbonyl chloride
• IUPAC Traditional name: 8-methyl-2-(5-methylfuran-2-yl)quinoline-4-carbonyl chloride
• Synonyms: 8-Methyl-2-(5-methyl-2-furyl)quinoline-4-carbonyl chloride

Database IDs

• MDL Number: MFCD03421178
• PubChem SID: 162061172
• PubChem CID: 46779313

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.1281176
• LogD (pH = 7.4): 4.128118
• Log P: 4.128118
• Molar Refractivity: 78.44 cm^3
• Polarizability: 32.057632 Å^3
• Polar Surface Area: 43.1 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false