N-[(4-fluorophenyl)methyl]-N-(3-methoxypropyl)quinoxaline-5-carboxamide

• ChemBase ID: 507048
• Molecular Formular: C20H20FN3O2
• Molecular Mass: 353.3901032
• Monoisotopic Mass: 353.15395512
• SMILES: c1(C(=O)N(Cc2ccc(F)cc2)CCCOC)c2nccnc2ccc1
• Canonical SMILES: COCCCN(C(=O)c1cccc2c1nccn2)Cc1ccc(cc1)F
• InChI: InChI=1S/C20H20FN3O2/c1-26-13-3-12-24(14-15-6-8-16(21)9-7-15)20(25)17-4-2-5-18-19(17)23-11-10-22-18/h2,4-11H,3,12-14H2,1H3
• InChIKey: QXLOFAHXQXIEOK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(4-fluorophenyl)methyl]-N-(3-methoxypropyl)quinoxaline-5-carboxamide
• IUPAC Traditional name: N-[(4-fluorophenyl)methyl]-N-(3-methoxypropyl)quinoxaline-5-carboxamide
• Synonyms: N-(4-fluorobenzyl)-N-(3-methoxypropyl)quinoxaline-5-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.4772265
• LogD (pH = 7.4): 2.47723
• Log P: 2.47723
• Molar Refractivity: 97.0601 cm^3
• Polarizability: 38.032925 Å^3
• Polar Surface Area: 55.32 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.81
• LOG S: -2.47
• Polar Surface Area: 55.32 Å^2
• Rotatable Bonds: 7