4-amino-8-methoxyquinoline-3-carbohydrazide

• ChemBase ID: 123175
• Molecular Formular: C11H12N4O2
• Molecular Mass: 232.23858
• Monoisotopic Mass: 232.09602564
• SMILES: c1(c(c2c(nc1)c(OC)ccc2)N)C(=O)NN
• Canonical SMILES: COc1cccc2c1ncc(c2N)C(=O)NN
• InChI: InChI=1S/C11H12N4O2/c1-17-8-4-2-3-6-9(12)7(11(16)15-13)5-14-10(6)8/h2-5H,13H2,1H3,(H2,12,14)(H,15,16)
• InChIKey: SKNSWGQCFWYDFH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 162217528
• PubChem CID: 33730617

CALCULATED PROPERTIES

• Acid pKa: 13.939175
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): 0.33859113
• LogD (pH = 7.4): 0.34834203
• Log P: 0.34846786
• Molar Refractivity: 64.7054 cm^3
• Polarizability: 24.857567 Å^3
• Polar Surface Area: 103.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true