2-[(5,7-dichloro-2-methylquinolin-8-yl)oxy]acetohydrazide

• ChemBase ID: 232271
• Molecular Formular: C12H11Cl2N3O2
• Molecular Mass: 300.14064
• Monoisotopic Mass: 299.02283197
• SMILES: c12c(c(cc(c1ccc(n2)C)Cl)Cl)OCC(=O)NN
• Canonical SMILES: NNC(=O)COc1c(Cl)cc(c2c1nc(C)cc2)Cl
• InChI: InChI=1S/C12H11Cl2N3O2/c1-6-2-3-7-8(13)4-9(14)12(11(7)16-6)19-5-10(18)17-15/h2-4H,5,15H2,1H3,(H,17,18)
• InChIKey: GFCBMQGESMIYDP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(5,7-dichloro-2-methylquinolin-8-yl)oxy]acetohydrazide
• IUPAC Traditional name: 2-[(5,7-dichloro-2-methylquinolin-8-yl)oxy]acetohydrazide
• Synonyms: (5,7-Dichloro-2-methyl-quinolin-8-yloxy)-acetic acid hydrazide

Database IDs

• MDL Number: MFCD04621484
• PubChem SID: 164288181
• PubChem CID: 2393519

CALCULATED PROPERTIES

• Acid pKa: 10.94832
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.6856768
• LogD (pH = 7.4): 1.687123
• Log P: 1.6872537
• Molar Refractivity: 73.0345 cm^3
• Polarizability: 29.506361 Å^3
• Polar Surface Area: 77.24 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.225

Product Information

• Purity: 95%