2-hydrazinyl-6-methoxy-3-methylquinoline

• ChemBase ID: 246834
• Molecular Formular: C11H13N3O
• Molecular Mass: 203.24042
• Monoisotopic Mass: 203.10586205
• SMILES: n1c(c(cc2c1ccc(c2)OC)C)NN
• Canonical SMILES: COc1ccc2c(c1)cc(c(n2)NN)C
• InChI: InChI=1S/C11H13N3O/c1-7-5-8-6-9(15-2)3-4-10(8)13-11(7)14-12/h3-6H,12H2,1-2H3,(H,13,14)
• InChIKey: JXSRDDMZTRVDGX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydrazinyl-6-methoxy-3-methylquinoline
• IUPAC Traditional name: 2-hydrazinyl-6-methoxy-3-methylquinoline
• Synonyms: 2-hydrazinyl-6-methoxy-3-methylquinoline

Database IDs

• MDL Number: MFCD09897198
• PubChem SID: 164302744
• PubChem CID: 24267331

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.68404514
• LogD (pH = 7.4): 1.6594317
• Log P: 2.4727507
• Molar Refractivity: 61.5039 cm^3
• Polarizability: 23.799198 Å^3
• Polar Surface Area: 60.17 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.939

Product Information

• Purity: 95%