2-(2-chlorophenyl)quinoline-4-carbohydrazide

• ChemBase ID: 27253
• Molecular Formular: C16H12ClN3O
• Molecular Mass: 297.73898
• Monoisotopic Mass: 297.0668897
• SMILES: c1(nc2c(c(c1)C(=O)NN)cccc2)c1c(Cl)cccc1
• Canonical SMILES: NNC(=O)c1cc(nc2c1cccc2)c1ccccc1Cl
• InChI: InChI=1S/C16H12ClN3O/c17-13-7-3-1-6-11(13)15-9-12(16(21)20-18)10-5-2-4-8-14(10)19-15/h1-9H,18H2,(H,20,21)
• InChIKey: TZUHPGPHBZGCON-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-chlorophenyl)quinoline-4-carbohydrazide
• IUPAC Traditional name: 2-(2-chlorophenyl)quinoline-4-carbohydrazide
• Synonyms: 2-(2-Chlorophenyl)quinoline-4-carbohydrazide; 2-(2-Chloro-phenyl)-quinoline-4-carboxylic acid hydrazide

Database IDs

• MDL Number: MFCD02373367
• PubChem SID: 160990560
• PubChem CID: 2168996

CALCULATED PROPERTIES

• Acid pKa: 14.707353
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 3.3213854
• LogD (pH = 7.4): 3.3221753
• Log P: 3.3221855
• Molar Refractivity: 83.1108 cm^3
• Polarizability: 34.063644 Å^3
• Polar Surface Area: 68.01 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.289

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%