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25635-22-7 molecular structure
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ethyl quinoline-8-carboxylate

ChemBase ID: 288056
Molecular Formular: C12H11NO2
Molecular Mass: 201.22124
Monoisotopic Mass: 201.0789786
SMILES and InChIs

SMILES:
O=C(c1c2ncccc2ccc1)OCC
Canonical SMILES:
CCOC(=O)c1cccc2c1nccc2
InChI:
InChI=1S/C12H11NO2/c1-2-15-12(14)10-7-3-5-9-6-4-8-13-11(9)10/h3-8H,2H2,1H3
InChIKey:
WTLGTEPKKMWKPX-UHFFFAOYSA-N

Cite this record

CBID:288056 http://www.chembase.cn/molecule-288056.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl quinoline-8-carboxylate
IUPAC Traditional name
ethyl quinoline-8-carboxylate
Synonyms
Ethyl 8-quinolinecarboxylate
CAS Number
25635-22-7
PubChem SID
180673587
PubChem CID
154876

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD165716 Please log in.
Data Source Data ID
PubChem 154876 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.4905374  LogD (pH = 7.4) 2.4911773 
Log P 2.4911854  Molar Refractivity 56.7532 cm3
Polarizability 23.224802 Å3 Polar Surface Area 39.19 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

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

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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