4-hydroxy-8-methoxyquinoline-3-carbohydrazide

• ChemBase ID: 123085
• Molecular Formular: C11H11N3O3
• Molecular Mass: 233.22334
• Monoisotopic Mass: 233.08004123
• SMILES: c1(c(c2c(nc1)c(OC)ccc2)O)C(=O)NN
• Canonical SMILES: COc1cccc2c1ncc(c2O)C(=O)NN
• InChI: InChI=1S/C11H11N3O3/c1-17-8-4-2-3-6-9(8)13-5-7(10(6)15)11(16)14-12/h2-5H,12H2,1H3,(H,13,15)(H,14,16)
• InChIKey: CWZIZAAPVWDQJT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 162217438
• PubChem CID: 12438330

CALCULATED PROPERTIES

• Acid pKa: 9.136951
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): 0.87339616
• LogD (pH = 7.4): 0.8660967
• Log P: 0.8738285
• Molar Refractivity: 61.9859 cm^3
• Polarizability: 24.335478 Å^3
• Polar Surface Area: 97.47 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true