N-(furan-3-ylmethyl)-3-(3-hydroxyquinoxalin-2-yl)propanamide

• ChemBase ID: 695470
• Molecular Formular: C16H15N3O3
• Molecular Mass: 297.3086
• Monoisotopic Mass: 297.11134136
• SMILES: n1c(c(nc2c1cccc2)CCC(=O)NCc1cocc1)O
• Canonical SMILES: O=C(NCc1cocc1)CCc1nc2ccccc2nc1O
• InChI: InChI=1S/C16H15N3O3/c20-15(17-9-11-7-8-22-10-11)6-5-14-16(21)19-13-4-2-1-3-12(13)18-14/h1-4,7-8,10H,5-6,9H2,(H,17,20)(H,19,21)
• InChIKey: KZQHNCATWFRTMP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(furan-3-ylmethyl)-3-(3-hydroxyquinoxalin-2-yl)propanamide
• IUPAC Traditional name: N-(furan-3-ylmethyl)-3-(3-hydroxyquinoxalin-2-yl)propanamide
• Synonyms: N-(3-furylmethyl)-3-(3-hydroxy-2-quinoxalinyl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.039182
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.8276409
• LogD (pH = 7.4): 1.8275571
• Log P: 1.8276556
• Molar Refractivity: 79.0745 cm^3
• Polarizability: 31.68995 Å^3
• Polar Surface Area: 88.25 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 1.7
• LOG S: -2.82
• Polar Surface Area: 88.25 Å^2
• Rotatable Bonds: 5