2-(furan-2-yl)quinoline-4-carbohydrazide

• ChemBase ID: 27264
• Molecular Formular: C14H11N3O2
• Molecular Mass: 253.25604
• Monoisotopic Mass: 253.08512661
• SMILES: c1(cc(nc2c1cccc2)c1occc1)C(=O)NN
• Canonical SMILES: NNC(=O)c1cc(nc2c1cccc2)c1ccco1
• InChI: InChI=1S/C14H11N3O2/c15-17-14(18)10-8-12(13-6-3-7-19-13)16-11-5-2-1-4-9(10)11/h1-8H,15H2,(H,17,18)
• InChIKey: QPAPHIVGAVWZPA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(furan-2-yl)quinoline-4-carbohydrazide
• IUPAC Traditional name: 2-(furan-2-yl)quinoline-4-carbohydrazide
• Synonyms: 2-(2-Furyl)quinoline-4-carbohydrazide; 2-Furan-2-yl-quinoline-4-carboxylic acid hydrazide

Database IDs

• MDL Number: MFCD03420734
• PubChem SID: 160990571
• PubChem CID: 2386004

CALCULATED PROPERTIES

• LogD (pH = 5.5): 1.7776219
• LogD (pH = 7.4): 1.7783778
• Log P: 1.7783874
• Molar Refractivity: 70.6969 cm^3
• Polarizability: 29.05522 Å^3
• Polar Surface Area: 81.15 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• Acid pKa: 14.5782995
• H Acceptors: 3
• H Donor: 2

PROPERTIES

Physical Property

• Melting Point: 219 - 221°C
• Hydrophobicity(logP): 2.2

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%