2-{2,8-diazaspiro[4.5]decan-2-ylmethyl}quinolin-8-ol

• ChemBase ID: 326254
• Molecular Formular: C18H23N3O
• Molecular Mass: 297.39472
• Monoisotopic Mass: 297.18411237
• SMILES: n1c2c(O)cccc2ccc1CN1CC2(CC1)CCNCC2
• Canonical SMILES: Oc1cccc2c1nc(cc2)CN1CCC2(C1)CCNCC2
• InChI: InChI=1S/C18H23N3O/c22-16-3-1-2-14-4-5-15(20-17(14)16)12-21-11-8-18(13-21)6-9-19-10-7-18/h1-5,19,22H,6-13H2
• InChIKey: LFTQQEYHHOJYEW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{2,8-diazaspiro[4.5]decan-2-ylmethyl}quinolin-8-ol
• IUPAC Traditional name: 2-{2,8-diazaspiro[4.5]decan-2-ylmethyl}quinolin-8-ol
• Synonyms: 2-(2,8-diazaspiro[4.5]dec-2-ylmethyl)quinolin-8-ol

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.333412
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -4.1890755
• LogD (pH = 7.4): -1.7713771
• Log P: 0.8622622
• Molar Refractivity: 87.6216 cm^3
• Polarizability: 35.76745 Å^3
• Polar Surface Area: 48.39 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.8
• LOG S: -1.32
• Polar Surface Area: 48.39 Å^2
• Rotatable Bonds: 2