6-ethyl-2-(4-methoxyphenyl)quinoline-4-carbonyl chloride

• ChemBase ID: 57116
• Molecular Formular: C19H16ClNO2
• Molecular Mass: 325.78884
• Monoisotopic Mass: 325.08695644
• SMILES: c1(ccc2c(c1)c(cc(n2)c1ccc(cc1)OC)C(=O)Cl)CC
• Canonical SMILES: CCc1ccc2c(c1)c(cc(n2)c1ccc(cc1)OC)C(=O)Cl
• InChI: InChI=1S/C19H16ClNO2/c1-3-12-4-9-17-15(10-12)16(19(20)22)11-18(21-17)13-5-7-14(23-2)8-6-13/h4-11H,3H2,1-2H3
• InChIKey: STQYYOUIZVRNSJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-ethyl-2-(4-methoxyphenyl)quinoline-4-carbonyl chloride
• IUPAC Traditional name: 6-ethyl-2-(4-methoxyphenyl)quinoline-4-carbonyl chloride
• Synonyms: 6-Ethyl-2-(4-methoxyphenyl)quinoline-4-carbonyl chloride

Database IDs

• MDL Number: MFCD12198047
• PubChem SID: 162061879
• PubChem CID: 46779796

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.1551633
• LogD (pH = 7.4): 5.155207
• Log P: 5.1552076
• Molar Refractivity: 91.9636 cm^3
• Polarizability: 37.802418 Å^3
• Polar Surface Area: 39.19 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false