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948289-80-3 molecular structure
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2,3-diethyl 6-ethoxyquinoline-2,3-dicarboxylate

ChemBase ID: 805285
Molecular Formular: C17H19NO5
Molecular Mass: 317.33646
Monoisotopic Mass: 317.12632271
SMILES and InChIs

SMILES:
c1cc2c(cc1OCC)cc(c(n2)C(=O)OCC)C(=O)OCC
Canonical SMILES:
CCOc1ccc2c(c1)cc(c(n2)C(=O)OCC)C(=O)OCC
InChI:
InChI=1S/C17H19NO5/c1-4-21-12-7-8-14-11(9-12)10-13(16(19)22-5-2)15(18-14)17(20)23-6-3/h7-10H,4-6H2,1-3H3
InChIKey:
YMKZGXICWLXRTL-UHFFFAOYSA-N

Cite this record

CBID:805285 http://www.chembase.cn/molecule-805285.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,3-diethyl 6-ethoxyquinoline-2,3-dicarboxylate
IUPAC Traditional name
2,3-diethyl 6-ethoxyquinoline-2,3-dicarboxylate
Synonyms
6-ETHOXYQUINOLINE-2,3-DICARBOXYLIC ACID DIETHYL ESTER
CAS Number
948289-80-3

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O22572 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.2364545  LogD (pH = 7.4) 3.2364573 
Log P 3.2364573  Molar Refractivity 84.3669 cm3
Polarizability 33.84281 Å3 Polar Surface Area 74.72 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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