1-[(6-fluoroquinolin-2-yl)methyl]-8-(pyridin-2-yl)-1,8-diazaspiro[4.5]decane

• ChemBase ID: 568668
• Molecular Formular: C23H25FN4
• Molecular Mass: 376.4698032
• Monoisotopic Mass: 376.20632504
• SMILES: N1(C2(CCN(c3ncccc3)CC2)CCC1)Cc1nc2c(cc(cc2)F)cc1
• Canonical SMILES: Fc1ccc2c(c1)ccc(n2)CN1CCCC21CCN(CC2)c1ccccn1
• InChI: InChI=1S/C23H25FN4/c24-19-6-8-21-18(16-19)5-7-20(26-21)17-28-13-3-9-23(28)10-14-27(15-11-23)22-4-1-2-12-25-22/h1-2,4-8,12,16H,3,9-11,13-15,17H2
• InChIKey: CWOVZSUDJVYYGB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(6-fluoroquinolin-2-yl)methyl]-8-(pyridin-2-yl)-1,8-diazaspiro[4.5]decane
• IUPAC Traditional name: 1-[(6-fluoroquinolin-2-yl)methyl]-8-(pyridin-2-yl)-1,8-diazaspiro[4.5]decane
• Synonyms: 6-fluoro-2-{[8-(2-pyridinyl)-1,8-diazaspiro[4.5]dec-1-yl]methyl}quinoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.2773751
• LogD (pH = 7.4): 2.6734931
• Log P: 3.9207487
• Molar Refractivity: 109.753 cm^3
• Polarizability: 43.082935 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: 3.27
• LOG S: -3.73
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 3