2-(4-methoxyphenyl)quinoline-4-carbohydrazide

• ChemBase ID: 27233
• Molecular Formular: C17H15N3O2
• Molecular Mass: 293.3199
• Monoisotopic Mass: 293.11642674
• SMILES: c1(cc(nc2c1cccc2)c1ccc(cc1)OC)C(=O)NN
• Canonical SMILES: NNC(=O)c1cc(nc2c1cccc2)c1ccc(cc1)OC
• InChI: InChI=1S/C17H15N3O2/c1-22-12-8-6-11(7-9-12)16-10-14(17(21)20-18)13-4-2-3-5-15(13)19-16/h2-10H,18H2,1H3,(H,20,21)
• InChIKey: CGLDASKHZUZDOK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-methoxyphenyl)quinoline-4-carbohydrazide
• IUPAC Traditional name: 2-(4-methoxyphenyl)quinoline-4-carbohydrazide
• Synonyms: 2-(4-Methoxyphenyl)quinoline-4-carbohydrazide

Database IDs

• MDL Number: MFCD01993672
• PubChem SID: 160990540
• PubChem CID: 779370

CALCULATED PROPERTIES

• Acid pKa: 14.741295
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.5595124
• LogD (pH = 7.4): 2.5604575
• Log P: 2.5604694
• Molar Refractivity: 84.7692 cm^3
• Polarizability: 34.727154 Å^3
• Polar Surface Area: 77.24 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false