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1-methyl-3-({3-oxo-2-azaspiro[4.4]nonan-2-yl}methyl)-1,2-dihydroquinolin-2-one

ChemBase ID: 341718
Molecular Formular: C19H22N2O2
Molecular Mass: 310.39018
Monoisotopic Mass: 310.16812795
SMILES and InChIs

SMILES:
c1(c(=O)n(c2c(c1)cccc2)C)CN1C(=O)CC2(C1)CCCC2
Canonical SMILES:
O=C1CC2(CN1Cc1cc3ccccc3n(c1=O)C)CCCC2
InChI:
InChI=1S/C19H22N2O2/c1-20-16-7-3-2-6-14(16)10-15(18(20)23)12-21-13-19(11-17(21)22)8-4-5-9-19/h2-3,6-7,10H,4-5,8-9,11-13H2,1H3
InChIKey:
CEHRMYGWDIJLFX-UHFFFAOYSA-N

Cite this record

CBID:341718 http://www.chembase.cn/molecule-341718.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-methyl-3-({3-oxo-2-azaspiro[4.4]nonan-2-yl}methyl)-1,2-dihydroquinolin-2-one
IUPAC Traditional name
1-methyl-3-({3-oxo-2-azaspiro[4.4]nonan-2-yl}methyl)quinolin-2-one
Synonyms
1-methyl-3-[(3-oxo-2-azaspiro[4.4]non-2-yl)methyl]quinolin-2(1H)-one

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)
H Acceptors H Donor
LogD (pH = 5.5) 1.9070162  LogD (pH = 7.4) 1.9070166 
Log P 1.9070166  Molar Refractivity 89.6897 cm3
Polarizability 34.31497 Å3 Polar Surface Area 40.62 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.81  LOG S -3.86 
Polar Surface Area 42.31 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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