1-[(2-fluorophenyl)methyl]-8-(quinolin-6-yl)-1,8-diazaspiro[4.5]decane

• ChemBase ID: 586317
• Molecular Formular: C24H26FN3
• Molecular Mass: 375.4817432
• Monoisotopic Mass: 375.21107607
• SMILES: N1(C2(CCN(c3cc4c(nccc4)cc3)CC2)CCC1)Cc1c(F)cccc1
• Canonical SMILES: Fc1ccccc1CN1CCCC21CCN(CC2)c1ccc2c(c1)cccn2
• InChI: InChI=1S/C24H26FN3/c25-22-7-2-1-5-20(22)18-28-14-4-10-24(28)11-15-27(16-12-24)21-8-9-23-19(17-21)6-3-13-26-23/h1-3,5-9,13,17H,4,10-12,14-16,18H2
• InChIKey: QHTVPUKJCRJMAH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(2-fluorophenyl)methyl]-8-(quinolin-6-yl)-1,8-diazaspiro[4.5]decane
• IUPAC Traditional name: 1-[(2-fluorophenyl)methyl]-8-(quinolin-6-yl)-1,8-diazaspiro[4.5]decane
• Synonyms: 6-[1-(2-fluorobenzyl)-1,8-diazaspiro[4.5]dec-8-yl]quinoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.12187
• LogD (pH = 7.4): 2.7974746
• Log P: 4.4624915
• Molar Refractivity: 112.1186 cm^3
• Polarizability: 43.99994 Å^3
• Polar Surface Area: 19.37 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 4.16
• LOG S: -4.48
• Polar Surface Area: 19.37 Å^2
• Rotatable Bonds: 3