5-(3-methoxypyrazin-2-yl)-1,2,3,4-tetrahydroisoquinoline

• ChemBase ID: 851921
• Molecular Formular: C14H15N3O
• Molecular Mass: 241.2884
• Monoisotopic Mass: 241.12151212
• SMILES: c1(c2c(nccn2)OC)c2c(CNCC2)ccc1
• Canonical SMILES: COc1nccnc1c1cccc2c1CCNC2
• InChI: InChI=1S/C14H15N3O/c1-18-14-13(16-7-8-17-14)12-4-2-3-10-9-15-6-5-11(10)12/h2-4,7-8,15H,5-6,9H2,1H3
• InChIKey: ZKEOGGOWHWUXRQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(3-methoxypyrazin-2-yl)-1,2,3,4-tetrahydroisoquinoline
• IUPAC Traditional name: 5-(3-methoxypyrazin-2-yl)-1,2,3,4-tetrahydroisoquinoline
• Synonyms: 5-(3-methoxypyrazin-2-yl)-1,2,3,4-tetrahydroisoquinoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.5390354
• LogD (pH = 7.4): -0.32100102
• Log P: 1.6060003
• Molar Refractivity: 69.8427 cm^3
• Polarizability: 28.28004 Å^3
• Polar Surface Area: 47.04 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.79
• LOG S: -1.48
• Polar Surface Area: 47.04 Å^2
• Rotatable Bonds: 2