3-[2-(6-methyl-1,2,3,4-tetrahydroquinolin-1-yl)-2-oxoethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

• ChemBase ID: 636118
• Molecular Formular: C19H25N3O3
• Molecular Mass: 343.4201
• Monoisotopic Mass: 343.18959168
• SMILES: C1(=O)N(CC(=O)N2c3c(cc(cc3)C)CCC2)CC2(O1)CCNCC2
• Canonical SMILES: Cc1ccc2c(c1)CCCN2C(=O)CN1CC2(OC1=O)CCNCC2
• InChI: InChI=1S/C19H25N3O3/c1-14-4-5-16-15(11-14)3-2-10-22(16)17(23)12-21-13-19(25-18(21)24)6-8-20-9-7-19/h4-5,11,20H,2-3,6-10,12-13H2,1H3
• InChIKey: DFHJCZKPVGOWLX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[2-(6-methyl-1,2,3,4-tetrahydroquinolin-1-yl)-2-oxoethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• IUPAC Traditional name: 3-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• Synonyms: 3-[2-(6-methyl-3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.231145
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.9905621
• LogD (pH = 7.4): -1.0529758
• Log P: 1.2065867
• Molar Refractivity: 94.3895 cm^3
• Polarizability: 36.637547 Å^3
• Polar Surface Area: 61.88 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.0
• LOG S: -4.27
• Polar Surface Area: 61.88 Å^2
• Rotatable Bonds: 2