4-hydrazinyl-6-methoxyquinoline

• ChemBase ID: 124937
• Molecular Formular: C10H11N3O
• Molecular Mass: 189.21384
• Monoisotopic Mass: 189.09021199
• SMILES: c12c(nccc1NN)ccc(c2)OC
• Canonical SMILES: COc1ccc2c(c1)c(NN)ccn2
• InChI: InChI=1S/C10H11N3O/c1-14-7-2-3-9-8(6-7)10(13-11)4-5-12-9/h2-6H,11H2,1H3,(H,12,13)
• InChIKey: JMSTXGKKPCBKCO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-hydrazinyl-6-methoxyquinoline
• IUPAC Traditional name: 4-hydrazinyl-6-methoxyquinoline
• Synonyms: 4-hydrazinyl-6-methoxyquinoline

Database IDs

• PubChem SID: 162219290
• PubChem CID: 12443535

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.57243407
• LogD (pH = 7.4): 1.3300507
• Log P: 1.3648719
• Molar Refractivity: 56.1492 cm^3
• Polarizability: 22.032328 Å^3
• Polar Surface Area: 60.17 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true