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

• ChemBase ID: 27235
• Molecular Formular: C17H15N3O2
• Molecular Mass: 293.3199
• Monoisotopic Mass: 293.11642674
• SMILES: c1(nc2c(c(c1)C(=O)NN)cccc2)c1c(OC)cccc1
• Canonical SMILES: NNC(=O)c1cc(nc2c1cccc2)c1ccccc1OC
• InChI: InChI=1S/C17H15N3O2/c1-22-16-9-5-3-7-12(16)15-10-13(17(21)20-18)11-6-2-4-8-14(11)19-15/h2-10H,18H2,1H3,(H,20,21)
• InChIKey: JDFQVZUUDLLYGO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD02244696
• PubChem SID: 160990542
• PubChem CID: 3340532

CALCULATED PROPERTIES

• Acid pKa: 14.697946
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.5596645
• LogD (pH = 7.4): 2.5604594
• Log P: 2.5604694
• Molar Refractivity: 84.7692 cm^3
• Polarizability: 34.7343 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