3-(3-hydroxyquinoxalin-2-yl)-N-[(1-methyl-1H-imidazol-2-yl)methyl]-N-propylpropanamide

• ChemBase ID: 691767
• Molecular Formular: C19H23N5O2
• Molecular Mass: 353.41822
• Monoisotopic Mass: 353.185175
• SMILES: c1(n(ccn1)C)CN(C(=O)CCc1nc2c(nc1O)cccc2)CCC
• Canonical SMILES: CCCN(C(=O)CCc1nc2ccccc2nc1O)Cc1nccn1C
• InChI: InChI=1S/C19H23N5O2/c1-3-11-24(13-17-20-10-12-23(17)2)18(25)9-8-16-19(26)22-15-7-5-4-6-14(15)21-16/h4-7,10,12H,3,8-9,11,13H2,1-2H3,(H,22,26)
• InChIKey: PLHXTMCYAANVOR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(3-hydroxyquinoxalin-2-yl)-N-[(1-methyl-1H-imidazol-2-yl)methyl]-N-propylpropanamide
• IUPAC Traditional name: 3-(3-hydroxyquinoxalin-2-yl)-N-[(1-methylimidazol-2-yl)methyl]-N-propylpropanamide
• Synonyms: 3-(3-hydroxyquinoxalin-2-yl)-N-[(1-methyl-1H-imidazol-2-yl)methyl]-N-propylpropanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.039297
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.4200476
• LogD (pH = 7.4): 1.9510022
• Log P: 1.968789
• Molar Refractivity: 97.9089 cm^3
• Polarizability: 38.925663 Å^3
• Polar Surface Area: 84.14 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.01
• LOG S: -3.49
• Polar Surface Area: 84.14 Å^2
• Rotatable Bonds: 7