4-amino-6-fluoroquinoline-3-carbohydrazide

• ChemBase ID: 123065
• Molecular Formular: C10H9FN4O
• Molecular Mass: 220.2030632
• Monoisotopic Mass: 220.07603915
• SMILES: c1(c(c2c(nc1)ccc(c2)F)N)C(=O)NN
• Canonical SMILES: NNC(=O)c1cnc2c(c1N)cc(cc2)F
• InChI: InChI=1S/C10H9FN4O/c11-5-1-2-8-6(3-5)9(12)7(4-14-8)10(16)15-13/h1-4H,13H2,(H2,12,14)(H,15,16)
• InChIKey: AJDQMOZVNBPAQN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-amino-6-fluoroquinoline-3-carbohydrazide
• IUPAC Traditional name: 4-amino-6-fluoroquinoline-3-carbohydrazide
• Synonyms: 4-amino-6-fluoroquinoline-3-carbohydrazide

Database IDs

• PubChem SID: 162217418
• PubChem CID: 28284475

CALCULATED PROPERTIES

• Acid pKa: 14.032252
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 0.5920808
• LogD (pH = 7.4): 0.64807445
• Log P: 0.6488411
• Molar Refractivity: 58.4586 cm^3
• Polarizability: 22.009382 Å^3
• Polar Surface Area: 94.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true