6-[4-(4-chlorophenoxy)piperidine-1-carbonyl]quinoxaline

• ChemBase ID: 693105
• Molecular Formular: C20H18ClN3O2
• Molecular Mass: 367.82882
• Monoisotopic Mass: 367.10875451
• SMILES: C(=O)(N1CCC(CC1)Oc1ccc(Cl)cc1)c1cc2nccnc2cc1
• Canonical SMILES: Clc1ccc(cc1)OC1CCN(CC1)C(=O)c1ccc2c(c1)nccn2
• InChI: InChI=1S/C20H18ClN3O2/c21-15-2-4-16(5-3-15)26-17-7-11-24(12-8-17)20(25)14-1-6-18-19(13-14)23-10-9-22-18/h1-6,9-10,13,17H,7-8,11-12H2
• InChIKey: VSPOTPKMRWPUQK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.8533092
• LogD (pH = 7.4): 2.8533266
• Log P: 2.8533268
• Molar Refractivity: 99.1112 cm^3
• Polarizability: 39.49313 Å^3
• Polar Surface Area: 55.32 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: 2.44
• LOG S: -3.97
• Polar Surface Area: 55.32 Å^2
• Rotatable Bonds: 3