quinoline-8-carbohydrazide

• ChemBase ID: 266044
• Molecular Formular: C10H9N3O
• Molecular Mass: 187.19796
• Monoisotopic Mass: 187.07456192
• SMILES: c1(c2ncccc2ccc1)C(=O)NN
• Canonical SMILES: NNC(=O)c1cccc2c1nccc2
• InChI: InChI=1S/C10H9N3O/c11-13-10(14)8-5-1-3-7-4-2-6-12-9(7)8/h1-6H,11H2,(H,13,14)
• InChIKey: ANNUAPCFXNMTND-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: quinoline-8-carbohydrazide
• IUPAC Traditional name: quinoline-8-carbohydrazide
• Synonyms: quinoline-8-carbohydrazide

Database IDs

• MDL Number: MFCD01365835
• PubChem SID: 164321954
• PubChem CID: 10012684

CALCULATED PROPERTIES

• Acid pKa: 14.229592
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.6842814
• LogD (pH = 7.4): 0.68505514
• Log P: 0.6850651
• Molar Refractivity: 53.5418 cm^3
• Polarizability: 21.211866 Å^3
• Polar Surface Area: 68.01 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 88 - 90°C
• Hydrophobicity(logP): 0.575

Product Information

• Purity: 95%