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63136-14-1 molecular structure
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ethyl 8-ethyl-4-hydroxyquinoline-3-carboxylate

ChemBase ID: 813498
Molecular Formular: C14H15NO3
Molecular Mass: 245.2738
Monoisotopic Mass: 245.10519335
SMILES and InChIs

SMILES:
c1c(c2c(cc1)c(c(cn2)C(=O)OCC)O)CC
Canonical SMILES:
CCOC(=O)c1cnc2c(c1O)cccc2CC
InChI:
InChI=1S/C14H15NO3/c1-3-9-6-5-7-10-12(9)15-8-11(13(10)16)14(17)18-4-2/h5-8H,3-4H2,1-2H3,(H,15,16)
InChIKey:
IXXFUMUBUIACJY-UHFFFAOYSA-N

Cite this record

CBID:813498 http://www.chembase.cn/molecule-813498.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 8-ethyl-4-hydroxyquinoline-3-carboxylate
IUPAC Traditional name
ethyl 8-ethyl-4-hydroxyquinoline-3-carboxylate
Synonyms
8-ETHYL-4-HYDROXYQUINOLINE-3-CARBOXYLIC ACID ETHYL ESTER
CAS Number
63136-14-1

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O35150 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O35150 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.745899  H Acceptors
H Donor LogD (pH = 5.5) 3.79555 
LogD (pH = 7.4) 3.795417  Log P 3.7956102 
Molar Refractivity 68.3763 cm3 Polarizability 27.418447 Å3
Polar Surface Area 59.42 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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