ethyl 4,8-dichloroquinoline-3-carboxylate

C12H9Cl2NO2 — CID 728974

IUPACethyl 4,8-dichloroquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(Cl)cccc2c1Cl
InChIInChI=1S/C12H9Cl2NO2/c1-2-17-12(16)8-6-15-11-7(10(8)14)4-3-5-9(11)13/h3-6H,2H2,1H3
InChIKeyHINLPSGAVZPTIW-UHFFFAOYSA-N
MW270.12 g/mol
LogP3.72
Rot. Bonds2

About ethyl 4,8-dichloroquinoline-3-carboxylate

ethyl 4,8-dichloroquinoline-3-carboxylate (PubChem CID 728974) has the molecular formula C12H9Cl2NO2 and a molecular weight of 270.12 g/mol. Its IUPAC name is ethyl 4,8-dichloroquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4,8-dichloroquinoline-3-carboxylate
PubChem CID728974
Molecular FormulaC12H9Cl2NO2
Molecular Weight270.12 g/mol
Exact Mass269.00
IUPAC Nameethyl 4,8-dichloroquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(Cl)cccc2c1Cl
InChIInChI=1S/C12H9Cl2NO2/c1-2-17-12(16)8-6-15-11-7(10(8)14)4-3-5-9(11)13/h3-6H,2H2,1H3
InChIKeyHINLPSGAVZPTIW-UHFFFAOYSA-N
XLogP3.72
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.12
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-chloro-8-iodoquinoline-3-carboxylate
CID 11792955
ethyl 4-bromo-8-chloroquinoline-3-carboxylate
CID 17040074
methyl 4,8-dichloroquinoline-3-carboxylate
CID 112703942
ethyl 4-chloro-8-phenylquinoline-3-carboxylate
CID 18549723
ethyl 4-anilino-8-chloroquinoline-3-carboxylate
CID 728783
ethyl 4-chloro-8-(trifluoromethoxy)quinoline-3-carboxylate
CID 29272013
ethyl 8-chloro-4-(4-methylanilino)quinoline-3-carboxylate
CID 709130
ethyl 8-chloro-4-(2-ethyl-6-methylanilino)quinoline-3-carboxylate
CID 23733695
ethyl 8-chloro-4-(4-ethoxyanilino)quinoline-3-carboxylate
CID 1181319
ethyl 8-chloro-4-(2-phenylethylamino)quinoline-3-carboxylate
CID 1181324
ethyl 4-chloro-5,8-difluoroquinoline-3-carboxylate
CID 17040076
ethyl 4-chloro-6,8-dimethylquinoline-3-carboxylate
CID 3352918

Frequently Asked Questions

What is the IUPAC name of ethyl 4,8-dichloroquinoline-3-carboxylate?
The IUPAC name of ethyl 4,8-dichloroquinoline-3-carboxylate (CID 728974) is ethyl 4,8-dichloroquinoline-3-carboxylate.
What is the SMILES notation for ethyl 4,8-dichloroquinoline-3-carboxylate?
The canonical SMILES for ethyl 4,8-dichloroquinoline-3-carboxylate is CCOC(=O)c1cnc2c(Cl)cccc2c1Cl.
What is the InChIKey of ethyl 4,8-dichloroquinoline-3-carboxylate?
The InChIKey is HINLPSGAVZPTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2NO2/c1-2-17-12(16)8-6-15-11-7(10(8)14)4-3-5-9(11)13/h3-6H,2H2,1H3.
What are the key properties of ethyl 4,8-dichloroquinoline-3-carboxylate?
ethyl 4,8-dichloroquinoline-3-carboxylate has a molecular weight of 270.12 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4,8-dichloroquinoline-3-carboxylate is sourced from PubChem (CID 728974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).