2-(3,4,5-trimethoxyphenyl)quinoline-4-carbohydrazide

• ChemBase ID: 230485
• Molecular Formular: C19H19N3O4
• Molecular Mass: 353.37186
• Monoisotopic Mass: 353.1375561
• SMILES: c1(cc(nc2c1cccc2)c1cc(c(c(c1)OC)OC)OC)C(=O)NN
• Canonical SMILES: NNC(=O)c1cc(nc2c1cccc2)c1cc(OC)c(c(c1)OC)OC
• InChI: InChI=1S/C19H19N3O4/c1-24-16-8-11(9-17(25-2)18(16)26-3)15-10-13(19(23)22-20)12-6-4-5-7-14(12)21-15/h4-10H,20H2,1-3H3,(H,22,23)
• InChIKey: NTQDNSKICKJABG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3,4,5-trimethoxyphenyl)quinoline-4-carbohydrazide
• IUPAC Traditional name: 2-(3,4,5-trimethoxyphenyl)quinoline-4-carbohydrazide
• Synonyms: 2-(3,4,5-Trimethoxy-phenyl)-quinoline-4-carboxylic acid hydrazide

Database IDs

• MDL Number: MFCD02706736
• PubChem SID: 164286395
• PubChem CID: 2320945

CALCULATED PROPERTIES

• Acid pKa: 14.730357
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): 2.2442267
• LogD (pH = 7.4): 2.2451155
• Log P: 2.245127
• Molar Refractivity: 97.6956 cm^3
• Polarizability: 39.71565 Å^3
• Polar Surface Area: 95.7 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 200 - 202°C
• Hydrophobicity(logP): 2.228

Product Information

• Purity: 95%