quinoline-5-carbohydrazide

• ChemBase ID: 271466
• Molecular Formular: C10H9N3O
• Molecular Mass: 187.19796
• Monoisotopic Mass: 187.07456192
• SMILES: c1(C(=O)NN)c2c(nccc2)ccc1
• Canonical SMILES: NNC(=O)c1cccc2c1cccn2
• InChI: InChI=1S/C10H9N3O/c11-13-10(14)8-3-1-5-9-7(8)4-2-6-12-9/h1-6H,11H2,(H,13,14)
• InChIKey: WRSYLKYGVWUPQP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: quinoline-5-carbohydrazide
• IUPAC Traditional name: quinoline-5-carbohydrazide
• Synonyms: quinoline-5-carbohydrazide; QUINOLINE-5-CARBOXYLIC ACID HYDRAZIDE

Database IDs

• CAS Number: 96541-83-2
• MDL Number: MFCD01063087
• PubChem SID: 164327376
• PubChem CID: 43237126

CALCULATED PROPERTIES

• Acid pKa: 14.864308
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.683196
• LogD (pH = 7.4): 0.6850415
• Log P: 0.6850651
• Molar Refractivity: 53.5418 cm^3
• Polarizability: 21.210701 Å^3
• Polar Surface Area: 68.01 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 130 - 132°C
• Hydrophobicity(logP): 0.575

Product Information

• Purity: 95%; 98%