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164280517 molecular structure
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ethyl 4-hydroxy-6,8-dimethoxyquinoline-3-carboxylate

ChemBase ID: 224607
Molecular Formular: C14H15NO5
Molecular Mass: 277.2726
Monoisotopic Mass: 277.09502259
SMILES and InChIs

SMILES:
c12c(c(C(=O)OCC)cnc1c(cc(c2)OC)OC)O
Canonical SMILES:
CCOC(=O)c1cnc2c(c1O)cc(cc2OC)OC
InChI:
InChI=1S/C14H15NO5/c1-4-20-14(17)10-7-15-12-9(13(10)16)5-8(18-2)6-11(12)19-3/h5-7H,4H2,1-3H3,(H,15,16)
InChIKey:
QHBNTXBHKHDRNC-UHFFFAOYSA-N

Cite this record

CBID:224607 http://www.chembase.cn/molecule-224607.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 4-hydroxy-6,8-dimethoxyquinoline-3-carboxylate
IUPAC Traditional name
ethyl 4-hydroxy-6,8-dimethoxyquinoline-3-carboxylate
PubChem SID
164280517
PubChem CID
735350

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 735350 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.936958  H Acceptors
H Donor LogD (pH = 5.5) 2.5222716 
LogD (pH = 7.4) 2.5221539  Log P 2.5222776 
Molar Refractivity 71.6605 cm3 Polarizability 28.864038 Å3
Polar Surface Area 77.88 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Classification
Derivatives & analogs of Natural Compounds expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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