methyl[1-(pyrazin-2-yl)propan-2-yl](quinolin-4-ylmethyl)amine

• ChemBase ID: 582732
• Molecular Formular: C18H20N4
• Molecular Mass: 292.3782
• Monoisotopic Mass: 292.16879666
• SMILES: c1(CN(C(Cc2nccnc2)C)C)c2c(ncc1)cccc2
• Canonical SMILES: CN(C(Cc1cnccn1)C)Cc1ccnc2c1cccc2
• InChI: InChI=1S/C18H20N4/c1-14(11-16-12-19-9-10-20-16)22(2)13-15-7-8-21-18-6-4-3-5-17(15)18/h3-10,12,14H,11,13H2,1-2H3
• InChIKey: PWHGJUQZTQHQFX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[1-(pyrazin-2-yl)propan-2-yl](quinolin-4-ylmethyl)amine
• IUPAC Traditional name: methyl[1-(pyrazin-2-yl)propan-2-yl](quinolin-4-ylmethyl)amine
• Synonyms: N-methyl-1-pyrazin-2-yl-N-(quinolin-4-ylmethyl)propan-2-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.2324458
• LogD (pH = 7.4): 0.19318059
• Log P: 2.0964851
• Molar Refractivity: 87.4168 cm^3
• Polarizability: 35.471077 Å^3
• Polar Surface Area: 41.91 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.8
• LOG S: -1.86
• Polar Surface Area: 41.91 Å^2
• Rotatable Bonds: 5