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76577-82-7 molecular structure
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ethyl pyrrolo[1,2-a]quinoline-2-carboxylate

ChemBase ID: 76943
Molecular Formular: C15H13NO2
Molecular Mass: 239.26922
Monoisotopic Mass: 239.09462866
SMILES and InChIs

SMILES:
n12c(cc(c1)C(=O)OCC)ccc1ccccc21
Canonical SMILES:
CCOC(=O)c1cn2c(c1)ccc1c2cccc1
InChI:
InChI=1S/C15H13NO2/c1-2-18-15(17)12-9-13-8-7-11-5-3-4-6-14(11)16(13)10-12/h3-10H,2H2,1H3
InChIKey:
QJEYZIIXKJLBIY-UHFFFAOYSA-N

Cite this record

CBID:76943 http://www.chembase.cn/molecule-76943.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl pyrrolo[1,2-a]quinoline-2-carboxylate
IUPAC Traditional name
ethyl pyrrolo[1,2-a]quinoline-2-carboxylate
Synonyms
Pyrrolo[1,2-a]quinoline-2-carboxylic acid ethyl ester
Ethyl pyrrolo[1,2-a]quinoline-2-carboxylate
CAS Number
76577-82-7
MDL Number
MFCD08056189
PubChem SID
162041842
PubChem CID
14067610

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price
Apollo Scientific
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Data Source Data ID
PubChem 14067610 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.9889226  LogD (pH = 7.4) 2.9889226 
Log P 2.9889226  Molar Refractivity 71.2423 cm3
Polarizability 28.675266 Å3 Polar Surface Area 30.71 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Irritant expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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