6-{[5-(morpholin-4-ylmethyl)quinolin-8-yl]oxy}pyrazine-2-carboxamide

• ChemBase ID: 847148
• Molecular Formular: C19H19N5O3
• Molecular Mass: 365.38586
• Monoisotopic Mass: 365.14878949
• SMILES: c1(nc(Oc2c3c(c(CN4CCOCC4)cc2)cccn3)cnc1)C(=O)N
• Canonical SMILES: NC(=O)c1cncc(n1)Oc1ccc(c2c1nccc2)CN1CCOCC1
• InChI: InChI=1S/C19H19N5O3/c20-19(25)15-10-21-11-17(23-15)27-16-4-3-13(12-24-6-8-26-9-7-24)14-2-1-5-22-18(14)16/h1-5,10-11H,6-9,12H2,(H2,20,25)
• InChIKey: QTSWIBOQUQRDOC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-{[5-(morpholin-4-ylmethyl)quinolin-8-yl]oxy}pyrazine-2-carboxamide
• IUPAC Traditional name: 6-{[5-(morpholin-4-ylmethyl)quinolin-8-yl]oxy}pyrazine-2-carboxamide
• Synonyms: 6-{[5-(morpholin-4-ylmethyl)quinolin-8-yl]oxy}pyrazine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.800743
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -0.6338077
• LogD (pH = 7.4): 0.63776815
• Log P: 0.74968725
• Molar Refractivity: 98.5434 cm^3
• Polarizability: 39.02255 Å^3
• Polar Surface Area: 103.46 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 1
• Log P: 0.64
• LOG S: -2.41
• Polar Surface Area: 103.46 Å^2
• Rotatable Bonds: 5