3-hydrazinylquinoline

• ChemBase ID: 180346
• Molecular Formular: C9H9N3
• Molecular Mass: 159.18786
• Monoisotopic Mass: 159.0796473
• SMILES: n1cc(cc2ccccc12)NN
• Canonical SMILES: NNc1cnc2c(c1)cccc2
• InChI: InChI=1S/C9H9N3/c10-12-8-5-7-3-1-2-4-9(7)11-6-8/h1-6,12H,10H2
• InChIKey: IISWOHCLTBUICM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-hydrazinylquinoline
• IUPAC Traditional name: 3-hydrazinylquinoline
• Synonyms: Quinoline, 3-hydrazino-

Database IDs

• CAS Number: 15793-78-9
• PubChem SID: 164236256
• PubChem CID: 109106

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.3959138
• LogD (pH = 7.4): 1.5206985
• Log P: 1.5225431
• Molar Refractivity: 49.686 cm^3
• Polarizability: 19.56157 Å^3
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true