4-amino-8-fluoroquinoline-3-carbohydrazide

• ChemBase ID: 123177
• Molecular Formular: C10H9FN4O
• Molecular Mass: 220.2030632
• Monoisotopic Mass: 220.07603915
• SMILES: c1(c(c2c(nc1)c(F)ccc2)N)C(=O)NN
• Canonical SMILES: Nc1c(cnc2c1cccc2F)C(=O)NN
• InChI: InChI=1S/C10H9FN4O/c11-7-3-1-2-5-8(12)6(10(16)15-13)4-14-9(5)7/h1-4H,13H2,(H2,12,14)(H,15,16)
• InChIKey: IWOBWLWLSJFKQL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-amino-8-fluoroquinoline-3-carbohydrazide
• IUPAC Traditional name: 4-amino-8-fluoroquinoline-3-carbohydrazide
• Synonyms: 4-amino-8-fluoroquinoline-3-carbohydrazide

Database IDs

• PubChem SID: 162217530
• PubChem CID: 24220880

CALCULATED PROPERTIES

• Acid pKa: 13.806378
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 0.64699
• LogD (pH = 7.4): 0.64881754
• Log P: 0.6488411
• Molar Refractivity: 58.4586 cm^3
• Polarizability: 22.01552 Å^3
• Polar Surface Area: 94.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true