3-(2-methoxyquinolin-3-yl)-N-methylpyrazin-2-amine

• ChemBase ID: 866063
• Molecular Formular: C15H14N4O
• Molecular Mass: 266.29786
• Monoisotopic Mass: 266.11676109
• SMILES: c1(c(nc2c(c1)cccc2)OC)c1c(nccn1)NC
• Canonical SMILES: COc1nc2ccccc2cc1c1nccnc1NC
• InChI: InChI=1S/C15H14N4O/c1-16-14-13(17-7-8-18-14)11-9-10-5-3-4-6-12(10)19-15(11)20-2/h3-9H,1-2H3,(H,16,18)
• InChIKey: ZLBOLEPRGUKRHZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-methoxyquinolin-3-yl)-N-methylpyrazin-2-amine
• IUPAC Traditional name: 3-(2-methoxyquinolin-3-yl)-N-methylpyrazin-2-amine
• Synonyms: 3-(2-methoxyquinolin-3-yl)-N-methylpyrazin-2-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 19.20282
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.232521
• LogD (pH = 7.4): 2.2326515
• Log P: 2.2326531
• Molar Refractivity: 77.7137 cm^3
• Polarizability: 31.665886 Å^3
• Polar Surface Area: 59.93 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.67
• LOG S: -2.57
• Polar Surface Area: 59.93 Å^2
• Rotatable Bonds: 3