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3-[2-(6-methyl-1,2,3,4-tetrahydroquinolin-1-yl)-2-oxoethyl]-1,3-oxazolidin-2-one

ChemBase ID: 341010
Molecular Formular: C15H18N2O3
Molecular Mass: 274.31502
Monoisotopic Mass: 274.13174245
SMILES and InChIs

SMILES:
N1(C(=O)CN2C(=O)OCC2)c2c(cc(cc2)C)CCC1
Canonical SMILES:
Cc1ccc2c(c1)CCCN2C(=O)CN1CCOC1=O
InChI:
InChI=1S/C15H18N2O3/c1-11-4-5-13-12(9-11)3-2-6-17(13)14(18)10-16-7-8-20-15(16)19/h4-5,9H,2-3,6-8,10H2,1H3
InChIKey:
ICBZXDFEWLVJIQ-UHFFFAOYSA-N

Cite this record

CBID:341010 http://www.chembase.cn/molecule-341010.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-[2-(6-methyl-1,2,3,4-tetrahydroquinolin-1-yl)-2-oxoethyl]-1,3-oxazolidin-2-one
IUPAC Traditional name
3-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-oxazolidin-2-one
Synonyms
3-[2-(6-methyl-3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]-1,3-oxazolidin-2-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)
Acid pKa 14.231951  H Acceptors
H Donor LogD (pH = 5.5) 1.6390598 
LogD (pH = 7.4) 1.6390598  Log P 1.6390598 
Molar Refractivity 74.3435 cm3 Polarizability 28.483797 Å3
Polar Surface Area 49.85 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.44  LOG S -3.29 
Polar Surface Area 49.85 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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