2-(4-phenylphenyl)quinoline-4-carbohydrazide

• ChemBase ID: 230506
• Molecular Formular: C22H17N3O
• Molecular Mass: 339.38988
• Monoisotopic Mass: 339.13716218
• SMILES: c1(cc(nc2c1cccc2)c1ccc(cc1)c1ccccc1)C(=O)NN
• Canonical SMILES: NNC(=O)c1cc(nc2c1cccc2)c1ccc(cc1)c1ccccc1
• InChI: InChI=1S/C22H17N3O/c23-25-22(26)19-14-21(24-20-9-5-4-8-18(19)20)17-12-10-16(11-13-17)15-6-2-1-3-7-15/h1-14H,23H2,(H,25,26)
• InChIKey: OZCBXZHQJVDKKI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-phenylphenyl)quinoline-4-carbohydrazide
• IUPAC Traditional name: 2-(4-phenylphenyl)quinoline-4-carbohydrazide
• Synonyms: 2-Biphenyl-4-yl-quinoline-4-carboxylic acid hydrazide

Database IDs

• MDL Number: MFCD00814136
• PubChem SID: 164286416
• PubChem CID: 2223623

CALCULATED PROPERTIES

• Acid pKa: 14.735597
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 4.3644476
• LogD (pH = 7.4): 4.3653545
• Log P: 4.365366
• Molar Refractivity: 103.4422 cm^3
• Polarizability: 43.360096 Å^3
• Polar Surface Area: 68.01 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.702

Product Information

• Purity: 95%