2-benzoylquinoline

• ChemBase ID: 249134
• Molecular Formular: C16H11NO
• Molecular Mass: 233.26464
• Monoisotopic Mass: 233.08406398
• SMILES: n1c(C(=O)c2ccccc2)ccc2c1cccc2
• Canonical SMILES: O=C(c1ccc2c(n1)cccc2)c1ccccc1
• InChI: InChI=1S/C16H11NO/c18-16(13-7-2-1-3-8-13)15-11-10-12-6-4-5-9-14(12)17-15/h1-11H
• InChIKey: RVBRBIGCROOWOI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-benzoylquinoline
• IUPAC Traditional name: 2-benzoylquinoline
• Synonyms: 2-benzoylquinoline

Database IDs

• MDL Number: MFCD00160599
• PubChem SID: 164305044
• PubChem CID: 727029

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.976004
• LogD (pH = 7.4): 3.9761026
• Log P: 3.9761038
• Molar Refractivity: 70.1828 cm^3
• Polarizability: 28.70618 Å^3
• Polar Surface Area: 29.96 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.863

Product Information

• Purity: 95%