2-hydrazinyl-7-methoxy-4-methylquinoline

• ChemBase ID: 233063
• Molecular Formular: C11H13N3O
• Molecular Mass: 203.24042
• Monoisotopic Mass: 203.10586205
• SMILES: c12nc(cc(c1ccc(c2)OC)C)NN
• Canonical SMILES: COc1ccc2c(c1)nc(cc2C)NN
• InChI: InChI=1S/C11H13N3O/c1-7-5-11(14-12)13-10-6-8(15-2)3-4-9(7)10/h3-6H,12H2,1-2H3,(H,13,14)
• InChIKey: YRWWBUSMACVAIC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydrazinyl-7-methoxy-4-methylquinoline
• IUPAC Traditional name: 2-hydrazinyl-7-methoxy-4-methylquinoline
• Synonyms: 2-hydrazino-7-methoxy-4-methylquinoline

Database IDs

• CAS Number: 97892-65-4
• MDL Number: MFCD00711758
• PubChem SID: 164288973
• PubChem CID: 332888

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.63719106
• LogD (pH = 7.4): 1.109327
• Log P: 2.4727507
• Molar Refractivity: 61.5039 cm^3
• Polarizability: 23.797874 Å^3
• Polar Surface Area: 60.17 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 250 - 252°C
• Hydrophobicity(logP): 2.939

Product Information

• Purity: 95%