2-(4-hydroxyphenyl)quinoline-4-carbohydrazide

• ChemBase ID: 27241
• Molecular Formular: C16H13N3O2
• Molecular Mass: 279.29332
• Monoisotopic Mass: 279.10077667
• SMILES: c1(cc(nc2c1cccc2)c1ccc(cc1)O)C(=O)NN
• Canonical SMILES: NNC(=O)c1cc(nc2c1cccc2)c1ccc(cc1)O
• InChI: InChI=1S/C16H13N3O2/c17-19-16(21)13-9-15(10-5-7-11(20)8-6-10)18-14-4-2-1-3-12(13)14/h1-9,20H,17H2,(H,19,21)
• InChIKey: JMYZQFFBXDIOSP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-hydroxyphenyl)quinoline-4-carbohydrazide
• IUPAC Traditional name: 2-(4-hydroxyphenyl)quinoline-4-carbohydrazide
• Synonyms: 2-(4-Hydroxyphenyl)quinoline-4-carbohydrazide

Database IDs

• MDL Number: MFCD01812954
• PubChem SID: 160990548
• PubChem CID: 17385762

CALCULATED PROPERTIES

• Acid pKa: 9.563064
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 2.413579
• LogD (pH = 7.4): 2.4116085
• Log P: 2.4145753
• Molar Refractivity: 80.2869 cm^3
• Polarizability: 32.805283 Å^3
• Polar Surface Area: 88.24 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false