2-methoxy-3-[6-(pyrrolidin-1-yl)pyridazin-3-yl]quinoline

• ChemBase ID: 862287
• Molecular Formular: C18H18N4O
• Molecular Mass: 306.36172
• Monoisotopic Mass: 306.14806122
• SMILES: c1(c(nc2c(c1)cccc2)OC)c1nnc(N2CCCC2)cc1
• Canonical SMILES: COc1nc2ccccc2cc1c1ccc(nn1)N1CCCC1
• InChI: InChI=1S/C18H18N4O/c1-23-18-14(12-13-6-2-3-7-15(13)19-18)16-8-9-17(21-20-16)22-10-4-5-11-22/h2-3,6-9,12H,4-5,10-11H2,1H3
• InChIKey: BVINXILJUUPLCR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-3-[6-(pyrrolidin-1-yl)pyridazin-3-yl]quinoline
• IUPAC Traditional name: 2-methoxy-3-[6-(pyrrolidin-1-yl)pyridazin-3-yl]quinoline
• Synonyms: 2-methoxy-3-(6-pyrrolidin-1-ylpyridazin-3-yl)quinoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 3.509658
• LogD (pH = 7.4): 3.511594
• Log P: 3.5116189
• Molar Refractivity: 91.5097 cm^3
• Polarizability: 36.46911 Å^3
• Polar Surface Area: 51.14 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.26
• LOG S: -3.36
• Polar Surface Area: 51.14 Å^2
• Rotatable Bonds: 3