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948290-10-6 molecular structure
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2,3-diethyl 7,8-dimethylquinoline-2,3-dicarboxylate

ChemBase ID: 805299
Molecular Formular: C17H19NO4
Molecular Mass: 301.33706
Monoisotopic Mass: 301.13140809
SMILES and InChIs

SMILES:
c1(c(c2c(cc1)cc(c(n2)C(=O)OCC)C(=O)OCC)C)C
Canonical SMILES:
CCOC(=O)c1nc2c(cc1C(=O)OCC)ccc(c2C)C
InChI:
InChI=1S/C17H19NO4/c1-5-21-16(19)13-9-12-8-7-10(3)11(4)14(12)18-15(13)17(20)22-6-2/h7-9H,5-6H2,1-4H3
InChIKey:
YHQALXIBYBFOCI-UHFFFAOYSA-N

Cite this record

CBID:805299 http://www.chembase.cn/molecule-805299.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,3-diethyl 7,8-dimethylquinoline-2,3-dicarboxylate
IUPAC Traditional name
2,3-diethyl 7,8-dimethylquinoline-2,3-dicarboxylate
Synonyms
7,8-DIMETHYLQUINOLINE-2,3-DICARBOXYLIC ACID DIETHYL ESTER
CAS Number
948290-10-6

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O22586 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) 4.0641575  LogD (pH = 7.4) 4.064163 
Log P 4.064163  Molar Refractivity 83.2375 cm3
Polarizability 33.00686 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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