2-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]quinoxaline

• ChemBase ID: 604107
• Molecular Formular: C23H21N3O2
• Molecular Mass: 371.43174
• Monoisotopic Mass: 371.16337693
• SMILES: N1(c2nc3c(nc2)cccc3)CC(c2cc3c(cc(cc3)OC)cc2)OCC1
• Canonical SMILES: COc1ccc2c(c1)ccc(c2)C1OCCN(C1)c1cnc2c(n1)cccc2
• InChI: InChI=1S/C23H21N3O2/c1-27-19-9-8-16-12-18(7-6-17(16)13-19)22-15-26(10-11-28-22)23-14-24-20-4-2-3-5-21(20)25-23/h2-9,12-14,22H,10-11,15H2,1H3
• InChIKey: YZHLBUVOGVRZNK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]quinoxaline
• IUPAC Traditional name: 2-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]quinoxaline
• Synonyms: 2-[2-(6-methoxy-2-naphthyl)morpholin-4-yl]quinoxaline

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 4.398323
• LogD (pH = 7.4): 4.399115
• Log P: 4.399125
• Molar Refractivity: 108.4632 cm^3
• Polarizability: 44.201313 Å^3
• Polar Surface Area: 47.48 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.42
• LOG S: -5.94
• Polar Surface Area: 47.48 Å^2
• Rotatable Bonds: 3