2-[(1R,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]quinoxaline

• ChemBase ID: 696688
• Molecular Formular: C19H24N4
• Molecular Mass: 308.42066
• Monoisotopic Mass: 308.20009679
• SMILES: N1(c2nc3c(nc2)cccc3)C[C@@H]2N(CC3CC3)C[C@H](C1)CC2
• Canonical SMILES: c1ccc2c(c1)ncc(n2)N1C[C@@H]2CC[C@H](C1)N(C2)CC1CC1
• InChI: InChI=1S/C19H24N4/c1-2-4-18-17(3-1)20-9-19(21-18)23-12-15-7-8-16(13-23)22(11-15)10-14-5-6-14/h1-4,9,14-16H,5-8,10-13H2/t15-,16-/m1/s1
• InChIKey: UVCGGBFJDYMPFW-HZPDHXFCSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(1R,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]quinoxaline
• IUPAC Traditional name: 2-[(1R,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]quinoxaline
• Synonyms: 2-[(1R*,5R*)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]non-3-yl]quinoxaline

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.18164171
• LogD (pH = 7.4): 1.1162814
• Log P: 3.1993628
• Molar Refractivity: 92.006 cm^3
• Polarizability: 36.828804 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.36
• LOG S: -2.46
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 3