3-methyl-7-(2,3,6-trimethylquinoline-4-carbonyl)-1-oxa-3,7-diazaspiro[4.5]decan-2-one

• ChemBase ID: 865175
• Molecular Formular: C21H25N3O3
• Molecular Mass: 367.4415
• Monoisotopic Mass: 367.18959168
• SMILES: c1(C(=O)N2CC3(OC(=O)N(C3)C)CCC2)c2c(nc(c1C)C)ccc(c2)C
• Canonical SMILES: Cc1ccc2c(c1)c(C(=O)N1CCCC3(C1)OC(=O)N(C3)C)c(c(n2)C)C
• InChI: InChI=1S/C21H25N3O3/c1-13-6-7-17-16(10-13)18(14(2)15(3)22-17)19(25)24-9-5-8-21(12-24)11-23(4)20(26)27-21/h6-7,10H,5,8-9,11-12H2,1-4H3
• InChIKey: QLZUXAHYSFPYPV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methyl-7-(2,3,6-trimethylquinoline-4-carbonyl)-1-oxa-3,7-diazaspiro[4.5]decan-2-one
• IUPAC Traditional name: 3-methyl-7-(2,3,6-trimethylquinoline-4-carbonyl)-1-oxa-3,7-diazaspiro[4.5]decan-2-one
• Synonyms: 3-methyl-7-[(2,3,6-trimethyl-4-quinolinyl)carbonyl]-1-oxa-3,7-diazaspiro[4.5]decan-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.657811
• LogD (pH = 7.4): 2.669592
• Log P: 2.6697443
• Molar Refractivity: 102.5707 cm^3
• Polarizability: 40.242836 Å^3
• Polar Surface Area: 62.74 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.99
• LOG S: -3.58
• Polar Surface Area: 62.74 Å^2
• Rotatable Bonds: 1