N-[(1R,2R)-2-(benzyloxy)cyclopentyl]quinoxaline-6-carboxamide

• ChemBase ID: 401345
• Molecular Formular: C21H21N3O2
• Molecular Mass: 347.41034
• Monoisotopic Mass: 347.16337693
• SMILES: C(=O)(N[C@H]1[C@H](OCc2ccccc2)CCC1)c1cc2nccnc2cc1
• Canonical SMILES: O=C(c1ccc2c(c1)nccn2)N[C@@H]1CCC[C@H]1OCc1ccccc1
• InChI: InChI=1S/C21H21N3O2/c25-21(16-9-10-17-19(13-16)23-12-11-22-17)24-18-7-4-8-20(18)26-14-15-5-2-1-3-6-15/h1-3,5-6,9-13,18,20H,4,7-8,14H2,(H,24,25)/t18-,20-/m1/s1
• InChIKey: MAJSBIVOJZZOOC-UYAOXDASSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1R,2R)-2-(benzyloxy)cyclopentyl]quinoxaline-6-carboxamide
• IUPAC Traditional name: N-[(1R,2R)-2-(benzyloxy)cyclopentyl]quinoxaline-6-carboxamide
• Synonyms: N-[(1R,2R)-2-(benzyloxy)cyclopentyl]quinoxaline-6-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.865568
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.0207748
• LogD (pH = 7.4): 3.0207925
• Log P: 3.0207927
• Molar Refractivity: 98.564 cm^3
• Polarizability: 39.503994 Å^3
• Polar Surface Area: 64.11 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.64
• LOG S: -3.99
• Polar Surface Area: 64.11 Å^2
• Rotatable Bonds: 5