6-(6-fluoroquinolin-8-yl)-N,N-dimethylpyridazin-3-amine

• ChemBase ID: 618224
• Molecular Formular: C15H13FN4
• Molecular Mass: 268.2889232
• Monoisotopic Mass: 268.11242466
• SMILES: c1(c2c(cc(c1)F)cccn2)c1nnc(N(C)C)cc1
• Canonical SMILES: Fc1cc2cccnc2c(c1)c1ccc(nn1)N(C)C
• InChI: InChI=1S/C15H13FN4/c1-20(2)14-6-5-13(18-19-14)12-9-11(16)8-10-4-3-7-17-15(10)12/h3-9H,1-2H3
• InChIKey: JEVDITPLKVDOMJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(6-fluoroquinolin-8-yl)-N,N-dimethylpyridazin-3-amine
• IUPAC Traditional name: 6-(6-fluoroquinolin-8-yl)-N,N-dimethylpyridazin-3-amine
• Synonyms: 6-(6-fluoroquinolin-8-yl)-N,N-dimethylpyridazin-3-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.807994
• LogD (pH = 7.4): 2.8116899
• Log P: 2.811737
• Molar Refractivity: 77.4084 cm^3
• Polarizability: 30.605532 Å^3
• Polar Surface Area: 41.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.35
• LOG S: -2.31
• Polar Surface Area: 41.91 Å^2
• Rotatable Bonds: 2