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110139-48-5 molecular structure
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ethyl 2,5,8-trimethylquinoline-3-carboxylate

ChemBase ID: 805010
Molecular Formular: C15H17NO2
Molecular Mass: 243.30098
Monoisotopic Mass: 243.12592879
SMILES and InChIs

SMILES:
c1c(c2c(c(c1)C)cc(c(n2)C)C(=O)OCC)C
Canonical SMILES:
CCOC(=O)c1cc2c(C)ccc(c2nc1C)C
InChI:
InChI=1S/C15H17NO2/c1-5-18-15(17)13-8-12-9(2)6-7-10(3)14(12)16-11(13)4/h6-8H,5H2,1-4H3
InChIKey:
LWYDEFRJMPFNGQ-UHFFFAOYSA-N

Cite this record

CBID:805010 http://www.chembase.cn/molecule-805010.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 2,5,8-trimethylquinoline-3-carboxylate
IUPAC Traditional name
ethyl 2,5,8-trimethylquinoline-3-carboxylate
Synonyms
2,5,8-TRIMETHYLQUINOLINE-3-CARBOXYLIC ACID ETHYL ESTER
CAS Number
110139-48-5

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O22289 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O22289 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.6330435  LogD (pH = 7.4) 3.6491885 
Log P 3.6493983  Molar Refractivity 71.4271 cm3
Polarizability 28.520275 Å3 Polar Surface Area 39.19 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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