4-[(quinolin-8-yloxy)methyl]benzohydrazide

• ChemBase ID: 230512
• Molecular Formular: C17H15N3O2
• Molecular Mass: 293.3199
• Monoisotopic Mass: 293.11642674
• SMILES: C(=O)(c1ccc(COc2c3ncccc3ccc2)cc1)NN
• Canonical SMILES: NNC(=O)c1ccc(cc1)COc1cccc2c1nccc2
• InChI: InChI=1S/C17H15N3O2/c18-20-17(21)14-8-6-12(7-9-14)11-22-15-5-1-3-13-4-2-10-19-16(13)15/h1-10H,11,18H2,(H,20,21)
• InChIKey: GZEPGQARAYQUPR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(quinolin-8-yloxy)methyl]benzohydrazide
• IUPAC Traditional name: 4-[(quinolin-8-yloxy)methyl]benzohydrazide
• Synonyms: 4-(Quinolin-8-yloxymethyl)-benzoic acid hydrazide

Database IDs

• MDL Number: MFCD02725387
• PubChem SID: 164286422
• PubChem CID: 2376875

CALCULATED PROPERTIES

• Acid pKa: 14.348357
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.2500386
• LogD (pH = 7.4): 2.251844
• Log P: 2.2518668
• Molar Refractivity: 84.6176 cm^3
• Polarizability: 33.323498 Å^3
• Polar Surface Area: 77.24 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 135 - 137°C
• Hydrophobicity(logP): 2.215

Product Information

• Purity: 95%