8-(8-chloroquinolin-2-yl)-2-cyclopropyl-2,8-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 568588
• Molecular Formular: C21H24ClN3O
• Molecular Mass: 369.88776
• Monoisotopic Mass: 369.16079008
• SMILES: N1(C(=O)CCC2(C1)CN(c1nc3c(Cl)cccc3cc1)CCC2)C1CC1
• Canonical SMILES: O=C1CCC2(CN1C1CC1)CCCN(C2)c1ccc2c(n1)c(Cl)ccc2
• InChI: InChI=1S/C21H24ClN3O/c22-17-4-1-3-15-5-8-18(23-20(15)17)24-12-2-10-21(13-24)11-9-19(26)25(14-21)16-6-7-16/h1,3-5,8,16H,2,6-7,9-14H2
• InChIKey: DHSZYUSQFYGFAQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(8-chloroquinolin-2-yl)-2-cyclopropyl-2,8-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 8-(8-chloroquinolin-2-yl)-2-cyclopropyl-2,8-diazaspiro[5.5]undecan-3-one
• Synonyms: 8-(8-chloro-2-quinolinyl)-2-cyclopropyl-2,8-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.9239542
• LogD (pH = 7.4): 3.9432106
• Log P: 3.943462
• Molar Refractivity: 103.7455 cm^3
• Polarizability: 41.084106 Å^3
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.04
• LOG S: -3.64
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 2