7-(2-methoxyethyl)-2-(quinoxalin-2-yl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 862855
• Molecular Formular: C19H24N4O2
• Molecular Mass: 340.41946
• Monoisotopic Mass: 340.18992603
• SMILES: C12(C(=O)N(CCC2)CCOC)CN(c2nc3c(nc2)cccc3)CC1
• Canonical SMILES: COCCN1CCCC2(C1=O)CCN(C2)c1cnc2c(n1)cccc2
• InChI: InChI=1S/C19H24N4O2/c1-25-12-11-22-9-4-7-19(18(22)24)8-10-23(14-19)17-13-20-15-5-2-3-6-16(15)21-17/h2-3,5-6,13H,4,7-12,14H2,1H3
• InChIKey: IQCJNWHZMSYAAE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(2-methoxyethyl)-2-(quinoxalin-2-yl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-(2-methoxyethyl)-2-(quinoxalin-2-yl)-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 7-(2-methoxyethyl)-2-quinoxalin-2-yl-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.9056401
• LogD (pH = 7.4): 1.9065022
• Log P: 1.9065133
• Molar Refractivity: 95.8489 cm^3
• Polarizability: 37.887604 Å^3
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.71
• LOG S: -2.29
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 4