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8-(8-fluoroquinoline-2-carbonyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one

ChemBase ID: 370133
Molecular Formular: C17H15FN2O4
Molecular Mass: 330.3104032
Monoisotopic Mass: 330.10158519
SMILES and InChIs

SMILES:
n1c(C(=O)N2CCC3(OC(=O)OC3)CC2)ccc2c1c(F)ccc2
Canonical SMILES:
O=C1OCC2(O1)CCN(CC2)C(=O)c1ccc2c(n1)c(F)ccc2
InChI:
InChI=1S/C17H15FN2O4/c18-12-3-1-2-11-4-5-13(19-14(11)12)15(21)20-8-6-17(7-9-20)10-23-16(22)24-17/h1-5H,6-10H2
InChIKey:
FCJAQQWKPOFJBU-UHFFFAOYSA-N

Cite this record

CBID:370133 http://www.chembase.cn/molecule-370133.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
8-(8-fluoroquinoline-2-carbonyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one
IUPAC Traditional name
8-(8-fluoroquinoline-2-carbonyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one
Synonyms
8-[(8-fluoro-2-quinolinyl)carbonyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one

DATA SOURCES

DATA SOURCES

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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) 2.088165  LogD (pH = 7.4) 2.088165 
Log P 2.088165  Molar Refractivity 81.1155 cm3
Polarizability 32.39797 Å3 Polar Surface Area 68.73 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 0.55  LOG S -2.08 
Polar Surface Area 68.73 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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