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162214390 molecular structure
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ethyl 8-methoxy-4-(methylamino)quinoline-3-carboxylate

ChemBase ID: 120037
Molecular Formular: C14H16N2O3
Molecular Mass: 260.28844
Monoisotopic Mass: 260.11609238
SMILES and InChIs

SMILES:
c1(c(c2c(nc1)c(OC)ccc2)NC)C(=O)OCC
Canonical SMILES:
CCOC(=O)c1cnc2c(c1NC)cccc2OC
InChI:
InChI=1S/C14H16N2O3/c1-4-19-14(17)10-8-16-13-9(12(10)15-2)6-5-7-11(13)18-3/h5-8H,4H2,1-3H3,(H,15,16)
InChIKey:
YXJOAUGPZDHFLX-UHFFFAOYSA-N

Cite this record

CBID:120037 http://www.chembase.cn/molecule-120037.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 8-methoxy-4-(methylamino)quinoline-3-carboxylate
IUPAC Traditional name
ethyl 8-methoxy-4-(methylamino)quinoline-3-carboxylate
Synonyms
ethyl 8-methoxy-4-(methylamino)quinoline-3-carboxylate
PubChem SID
162214390
PubChem CID
45588942

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price
InterBioScreen
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Data Source Data ID
PubChem 45588942 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.3606005  LogD (pH = 7.4) 2.4549308 
Log P 2.4562922  Molar Refractivity 73.4102 cm3
Polarizability 28.702986 Å3 Polar Surface Area 60.45 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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