5-methoxy-9-(quinoxaline-6-carbonyl)-1-oxa-9-azaspiro[5.5]undecane

• ChemBase ID: 676715
• Molecular Formular: C19H23N3O3
• Molecular Mass: 341.40422
• Monoisotopic Mass: 341.17394161
• SMILES: C(=O)(N1CCC2(CC1)OCCCC2OC)c1cc2nccnc2cc1
• Canonical SMILES: COC1CCCOC21CCN(CC2)C(=O)c1ccc2c(c1)nccn2
• InChI: InChI=1S/C19H23N3O3/c1-24-17-3-2-12-25-19(17)6-10-22(11-7-19)18(23)14-4-5-15-16(13-14)21-9-8-20-15/h4-5,8-9,13,17H,2-3,6-7,10-12H2,1H3
• InChIKey: RNQQVUHIWRFAJM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methoxy-9-(quinoxaline-6-carbonyl)-1-oxa-9-azaspiro[5.5]undecane
• IUPAC Traditional name: 5-methoxy-9-(quinoxaline-6-carbonyl)-1-oxa-9-azaspiro[5.5]undecane
• Synonyms: 5-methoxy-9-(quinoxalin-6-ylcarbonyl)-1-oxa-9-azaspiro[5.5]undecane

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.9005971
• LogD (pH = 7.4): 0.90061444
• Log P: 0.9006146
• Molar Refractivity: 92.942 cm^3
• Polarizability: 37.23045 Å^3
• Polar Surface Area: 64.55 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.44
• LOG S: -2.06
• Polar Surface Area: 64.55 Å^2
• Rotatable Bonds: 2