(1R,5R)-N,N-dimethyl-6-(5,6,7,8-tetrahydroquinoline-3-carbonyl)-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide

• ChemBase ID: 389782
• Molecular Formular: C20H28N4O2
• Molecular Mass: 356.46192
• Monoisotopic Mass: 356.22122616
• SMILES: N1(C(=O)c2cc3c(nc2)CCCC3)[C@H]2CN(C(=O)N(C)C)C[C@@H](C1)CC2
• Canonical SMILES: O=C(N1C[C@@H]2CC[C@H](C1)N(C2)C(=O)c1cnc2c(c1)CCCC2)N(C)C
• InChI: InChI=1S/C20H28N4O2/c1-22(2)20(26)23-11-14-7-8-17(13-23)24(12-14)19(25)16-9-15-5-3-4-6-18(15)21-10-16/h9-10,14,17H,3-8,11-13H2,1-2H3/t14-,17+/m0/s1
• InChIKey: QKTCYUMKKDWPPG-WMLDXEAASA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R,5R)-N,N-dimethyl-6-(5,6,7,8-tetrahydroquinoline-3-carbonyl)-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide
• IUPAC Traditional name: (1R,5R)-N,N-dimethyl-6-(5,6,7,8-tetrahydroquinoline-3-carbonyl)-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide
• Synonyms: (1R*,5R*)-N,N-dimethyl-6-(5,6,7,8-tetrahydro-3-quinolinylcarbonyl)-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.095026
• LogD (pH = 7.4): 1.1370772
• Log P: 1.1376426
• Molar Refractivity: 100.4441 cm^3
• Polarizability: 38.06397 Å^3
• Polar Surface Area: 56.75 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.52
• LOG S: -3.1
• Polar Surface Area: 56.75 Å^2
• Rotatable Bonds: 1