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methyl 1-(2-methoxyethoxy)-2-oxo-8-(2,5,7-trimethylquinoline-4-carbonyl)-1,8-diazaspiro[4.5]decane-4-carboxylate

ChemBase ID: 321790
Molecular Formular: C26H33N3O6
Molecular Mass: 483.55672
Monoisotopic Mass: 483.23693579
SMILES and InChIs

SMILES:
C12(C(CC(=O)N1OCCOC)C(=O)OC)CCN(C(=O)c1c3c(nc(c1)C)cc(cc3C)C)CC2
Canonical SMILES:
COCCON1C(=O)CC(C21CCN(CC2)C(=O)c1cc(C)nc2c1c(C)cc(c2)C)C(=O)OC
InChI:
InChI=1S/C26H33N3O6/c1-16-12-17(2)23-19(14-18(3)27-21(23)13-16)24(31)28-8-6-26(7-9-28)20(25(32)34-5)15-22(30)29(26)35-11-10-33-4/h12-14,20H,6-11,15H2,1-5H3
InChIKey:
XMODBBFLKSYXOV-UHFFFAOYSA-N

Cite this record

CBID:321790 http://www.chembase.cn/molecule-321790.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl 1-(2-methoxyethoxy)-2-oxo-8-(2,5,7-trimethylquinoline-4-carbonyl)-1,8-diazaspiro[4.5]decane-4-carboxylate
IUPAC Traditional name
methyl 1-(2-methoxyethoxy)-2-oxo-8-(2,5,7-trimethylquinoline-4-carbonyl)-1,8-diazaspiro[4.5]decane-4-carboxylate
Synonyms
methyl 1-(2-methoxyethoxy)-2-oxo-8-[(2,5,7-trimethyl-4-quinolinyl)carbonyl]-1,8-diazaspiro[4.5]decane-4-carboxylate

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Polarizability 50.935333 Å3 Polar Surface Area 98.27 Å2
Rotatable Bonds Lipinski's Rule of Five true 
Acid pKa 18.863644  H Acceptors
H Donor LogD (pH = 5.5) 1.592966 
LogD (pH = 7.4) 1.6198967  Log P 1.6202514 
Molar Refractivity 129.2809 cm3
Polar Surface Area 98.27 Å2 Rotatable Bonds
H Acceptors H Donor
Log P 1.54  LOG S -4.04 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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