5-chloro-4-hydrazinyl-8-methoxy-2-methylquinoline

• ChemBase ID: 816065
• Molecular Formular: C11H12ClN3O
• Molecular Mass: 237.68548
• Monoisotopic Mass: 237.0668897
• SMILES: c1c(c2c(c(c1)Cl)c(cc(n2)C)NN)OC
• Canonical SMILES: NNc1cc(C)nc2c1c(Cl)ccc2OC
• InChI: InChI=1S/C11H12ClN3O/c1-6-5-8(15-13)10-7(12)3-4-9(16-2)11(10)14-6/h3-5H,13H2,1-2H3,(H,14,15)
• InChIKey: HWFCQJFTJWCMTK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-4-hydrazinyl-8-methoxy-2-methylquinoline
• IUPAC Traditional name: 5-chloro-4-hydrazinyl-8-methoxy-2-methylquinoline
• Synonyms: 5-CHLORO-4-HYDRAZINO-8-METHOXY-2-METHYLQUINOLINE

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.8253777
• LogD (pH = 7.4): 2.095822
• Log P: 2.1002867
• Molar Refractivity: 65.5455 cm^3
• Polarizability: 25.65365 Å^3
• Polar Surface Area: 60.17 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%