6-[(1R,5R)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]quinoxaline

• ChemBase ID: 777897
• Molecular Formular: C19H24N4O2
• Molecular Mass: 340.41946
• Monoisotopic Mass: 340.18992603
• SMILES: N1(C(=O)c2cc3nccnc3cc2)C[C@@H]2N(C[C@H](C1)CC2)CCOC
• Canonical SMILES: COCCN1C[C@H]2CC[C@@H]1CN(C2)C(=O)c1ccc2c(c1)nccn2
• InChI: InChI=1S/C19H24N4O2/c1-25-9-8-22-11-14-2-4-16(22)13-23(12-14)19(24)15-3-5-17-18(10-15)21-7-6-20-17/h3,5-7,10,14,16H,2,4,8-9,11-13H2,1H3/t14-,16-/m1/s1
• InChIKey: ZSXXIRPIFNEWOK-GDBMZVCRSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-[(1R,5R)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]quinoxaline
• IUPAC Traditional name: 6-[(1R,5R)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]quinoxaline
• Synonyms: 6-{[(1R*,5R*)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]non-3-yl]carbonyl}quinoxaline

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -1.6623124
• LogD (pH = 7.4): 0.11181161
• Log P: 0.967301
• Molar Refractivity: 95.2372 cm^3
• Polarizability: 38.065468 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: 5
• H Donor: 0
• Log P: 0.02
• LOG S: -3.01
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 4