5-(quinolin-5-yl)pyrazin-2-amine

• ChemBase ID: 328717
• Molecular Formular: C13H10N4
• Molecular Mass: 222.2453
• Monoisotopic Mass: 222.09054634
• SMILES: c1(c2c(nccc2)ccc1)c1ncc(nc1)N
• Canonical SMILES: Nc1cnc(cn1)c1cccc2c1cccn2
• InChI: InChI=1S/C13H10N4/c14-13-8-16-12(7-17-13)10-3-1-5-11-9(10)4-2-6-15-11/h1-8H,(H2,14,17)
• InChIKey: OMTPNMKLMOEWIT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(quinolin-5-yl)pyrazin-2-amine
• IUPAC Traditional name: 5-(quinolin-5-yl)pyrazin-2-amine
• Synonyms: 5-(5-quinolinyl)-2-pyrazinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.4729276
• LogD (pH = 7.4): 1.4938884
• Log P: 1.4941629
• Molar Refractivity: 65.4436 cm^3
• Polarizability: 27.346312 Å^3
• Polar Surface Area: 64.69 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.66
• LOG S: -2.24
• Polar Surface Area: 64.69 Å^2
• Rotatable Bonds: 1