Home > Compound List > Compound details
948289-50-7 molecular structure
click picture or here to close

2,3-diethyl 6-chloro-8-methylquinoline-2,3-dicarboxylate

ChemBase ID: 805277
Molecular Formular: C16H16ClNO4
Molecular Mass: 321.75554
Monoisotopic Mass: 321.07678568
SMILES and InChIs

SMILES:
c1c(c2c(cc1Cl)cc(c(n2)C(=O)OCC)C(=O)OCC)C
Canonical SMILES:
CCOC(=O)c1cc2cc(Cl)cc(c2nc1C(=O)OCC)C
InChI:
InChI=1S/C16H16ClNO4/c1-4-21-15(19)12-8-10-7-11(17)6-9(3)13(10)18-14(12)16(20)22-5-2/h6-8H,4-5H2,1-3H3
InChIKey:
PBXVLLMXUUIXLR-UHFFFAOYSA-N

Cite this record

CBID:805277 http://www.chembase.cn/molecule-805277.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,3-diethyl 6-chloro-8-methylquinoline-2,3-dicarboxylate
IUPAC Traditional name
2,3-diethyl 6-chloro-8-methylquinoline-2,3-dicarboxylate
Synonyms
6-CHLORO-8-METHYLQUINOLINE-2,3-DICARBOXYLIC ACID DIETHYL ESTER
CAS Number
948289-50-7

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O22563 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O22563 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) 4.1547866  LogD (pH = 7.4) 4.1547866 
Log P 4.1547866  Molar Refractivity 83.0011 cm3
Polarizability 33.125168 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

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle