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92525-75-2 molecular structure
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2,3-diethyl 6-fluoroquinoline-2,3-dicarboxylate

ChemBase ID: 806764
Molecular Formular: C15H14FNO4
Molecular Mass: 291.2743632
Monoisotopic Mass: 291.09068615
SMILES and InChIs

SMILES:
c1cc2c(cc1F)cc(c(n2)C(=O)OCC)C(=O)OCC
Canonical SMILES:
CCOC(=O)c1cc2cc(F)ccc2nc1C(=O)OCC
InChI:
InChI=1S/C15H14FNO4/c1-3-20-14(18)11-8-9-7-10(16)5-6-12(9)17-13(11)15(19)21-4-2/h5-8H,3-4H2,1-2H3
InChIKey:
CAGDPCQGJPGFON-UHFFFAOYSA-N

Cite this record

CBID:806764 http://www.chembase.cn/molecule-806764.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,3-diethyl 6-fluoroquinoline-2,3-dicarboxylate
IUPAC Traditional name
2,3-diethyl 6-fluoroquinoline-2,3-dicarboxylate
Synonyms
6-FLUOROQUINOLINE-2,3-DICARBOXYLIC ACID DIETHYL ESTER
CAS Number
92525-75-2

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O24651 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) 3.1800222  LogD (pH = 7.4) 3.1800225 
Log P 3.1800225  Molar Refractivity 73.3715 cm3
Polarizability 29.170502 Å3 Polar Surface Area 65.49 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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