N-(oxolan-3-ylmethyl)quinoxalin-6-amine

• ChemBase ID: 732552
• Molecular Formular: C13H15N3O
• Molecular Mass: 229.2777
• Monoisotopic Mass: 229.12151212
• SMILES: c12cc(NCC3COCC3)ccc2nccn1
• Canonical SMILES: C1OCC(C1)CNc1ccc2c(c1)nccn2
• InChI: InChI=1S/C13H15N3O/c1-2-12-13(15-5-4-14-12)7-11(1)16-8-10-3-6-17-9-10/h1-2,4-5,7,10,16H,3,6,8-9H2
• InChIKey: DXNFMVJDJUPQDH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(oxolan-3-ylmethyl)quinoxalin-6-amine
• IUPAC Traditional name: N-(oxolan-3-ylmethyl)quinoxalin-6-amine
• Synonyms: N-(tetrahydro-3-furanylmethyl)-6-quinoxalinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.7648462
• LogD (pH = 7.4): 0.7902969
• Log P: 0.7906314
• Molar Refractivity: 66.2379 cm^3
• Polarizability: 26.369047 Å^3
• Polar Surface Area: 47.04 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.59
• LOG S: -2.23
• Polar Surface Area: 47.04 Å^2
• Rotatable Bonds: 3