3-methyl-7-(quinolin-4-yl)-1-oxa-3,7-diazaspiro[4.5]decan-2-one

• ChemBase ID: 863546
• Molecular Formular: C17H19N3O2
• Molecular Mass: 297.35166
• Monoisotopic Mass: 297.14772686
• SMILES: C1(=O)N(CC2(O1)CN(c1c3c(ncc1)cccc3)CCC2)C
• Canonical SMILES: O=C1OC2(CN1C)CCCN(C2)c1ccnc2c1cccc2
• InChI: InChI=1S/C17H19N3O2/c1-19-11-17(22-16(19)21)8-4-10-20(12-17)15-7-9-18-14-6-3-2-5-13(14)15/h2-3,5-7,9H,4,8,10-12H2,1H3
• InChIKey: NQBCCQBTHGUAHB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methyl-7-(quinolin-4-yl)-1-oxa-3,7-diazaspiro[4.5]decan-2-one
• IUPAC Traditional name: 3-methyl-7-(quinolin-4-yl)-1-oxa-3,7-diazaspiro[4.5]decan-2-one
• Synonyms: 3-methyl-7-(4-quinolinyl)-1-oxa-3,7-diazaspiro[4.5]decan-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.0007294
• LogD (pH = 7.4): 1.6139395
• Log P: 2.3215826
• Molar Refractivity: 83.4536 cm^3
• Polarizability: 33.24796 Å^3
• Polar Surface Area: 45.67 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: 2.15
• LOG S: -3.21
• Polar Surface Area: 45.67 Å^2
• Rotatable Bonds: 1