4-amino-6-methoxyquinoline-3-carbohydrazide

• ChemBase ID: 123084
• Molecular Formular: C11H12N4O2
• Molecular Mass: 232.23858
• Monoisotopic Mass: 232.09602564
• SMILES: c1(c(c2c(nc1)ccc(c2)OC)N)C(=O)NN
• Canonical SMILES: NNC(=O)c1cnc2c(c1N)cc(cc2)OC
• InChI: InChI=1S/C11H12N4O2/c1-17-6-2-3-9-7(4-6)10(12)8(5-14-9)11(16)15-13/h2-5H,13H2,1H3,(H2,12,14)(H,15,16)
• InChIKey: SBJGHDHFWGZAQY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 162217437
• PubChem CID: 17028194

CALCULATED PROPERTIES

• Acid pKa: 14.096616
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): 0.001718353
• LogD (pH = 7.4): 0.3414476
• Log P: 0.34846786
• Molar Refractivity: 64.7054 cm^3
• Polarizability: 24.850971 Å^3
• Polar Surface Area: 103.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true