6-[4-(2-methoxyphenoxy)piperidine-1-carbonyl]quinoxaline

• ChemBase ID: 717345
• Molecular Formular: C21H21N3O3
• Molecular Mass: 363.40974
• Monoisotopic Mass: 363.15829155
• SMILES: C(=O)(N1CCC(Oc2c(OC)cccc2)CC1)c1cc2nccnc2cc1
• Canonical SMILES: COc1ccccc1OC1CCN(CC1)C(=O)c1ccc2c(c1)nccn2
• InChI: InChI=1S/C21H21N3O3/c1-26-19-4-2-3-5-20(19)27-16-8-12-24(13-9-16)21(25)15-6-7-17-18(14-15)23-11-10-22-17/h2-7,10-11,14,16H,8-9,12-13H2,1H3
• InChIKey: PNCMAFJBSCLBFM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-[4-(2-methoxyphenoxy)piperidine-1-carbonyl]quinoxaline
• IUPAC Traditional name: 6-[4-(2-methoxyphenoxy)piperidine-1-carbonyl]quinoxaline
• Synonyms: 6-{[4-(2-methoxyphenoxy)-1-piperidinyl]carbonyl}quinoxaline

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.0915933
• LogD (pH = 7.4): 2.0916104
• Log P: 2.0916107
• Molar Refractivity: 100.7696 cm^3
• Polarizability: 40.157867 Å^3
• Polar Surface Area: 64.55 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.58
• LOG S: -3.2
• Polar Surface Area: 64.55 Å^2
• Rotatable Bonds: 4