8-[(6-chloropyridazin-3-yl)oxy]-5-(morpholin-4-ylmethyl)quinoline

• ChemBase ID: 370487
• Molecular Formular: C18H17ClN4O2
• Molecular Mass: 356.80618
• Monoisotopic Mass: 356.10400348
• SMILES: c12c(Oc3nnc(Cl)cc3)ccc(c1cccn2)CN1CCOCC1
• Canonical SMILES: Clc1ccc(nn1)Oc1ccc(c2c1nccc2)CN1CCOCC1
• InChI: InChI=1S/C18H17ClN4O2/c19-16-5-6-17(22-21-16)25-15-4-3-13(12-23-8-10-24-11-9-23)14-2-1-7-20-18(14)15/h1-7H,8-12H2
• InChIKey: QIEHBXZXLYIWHL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-[(6-chloropyridazin-3-yl)oxy]-5-(morpholin-4-ylmethyl)quinoline
• IUPAC Traditional name: 8-[(6-chloropyridazin-3-yl)oxy]-5-(morpholin-4-ylmethyl)quinoline
• Synonyms: 8-[(6-chloropyridazin-3-yl)oxy]-5-(morpholin-4-ylmethyl)quinoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.1918023
• LogD (pH = 7.4): 2.4633944
• Log P: 2.575321
• Molar Refractivity: 97.7233 cm^3
• Polarizability: 38.129154 Å^3
• Polar Surface Area: 60.37 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 1.7
• LOG S: -2.25
• Polar Surface Area: 60.37 Å^2
• Rotatable Bonds: 4