methyl 4,8-dichloroquinoline-3-carboxylate

C11H7Cl2NO2 — CID 112703942

IUPACmethyl 4,8-dichloroquinoline-3-carboxylate
SMILESCOC(=O)c1cnc2c(Cl)cccc2c1Cl
InChIInChI=1S/C11H7Cl2NO2/c1-16-11(15)7-5-14-10-6(9(7)13)3-2-4-8(10)12/h2-5H,1H3
InChIKeyUVJSAWYHEWDDEF-UHFFFAOYSA-N
MW256.09 g/mol
LogP3.33
Rot. Bonds1

About methyl 4,8-dichloroquinoline-3-carboxylate

methyl 4,8-dichloroquinoline-3-carboxylate (PubChem CID 112703942) has the molecular formula C11H7Cl2NO2 and a molecular weight of 256.09 g/mol. Its IUPAC name is methyl 4,8-dichloroquinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 4,8-dichloroquinoline-3-carboxylate
PubChem CID112703942
Molecular FormulaC11H7Cl2NO2
Molecular Weight256.09 g/mol
Exact Mass254.99
IUPAC Namemethyl 4,8-dichloroquinoline-3-carboxylate
SMILESCOC(=O)c1cnc2c(Cl)cccc2c1Cl
InChIInChI=1S/C11H7Cl2NO2/c1-16-11(15)7-5-14-10-6(9(7)13)3-2-4-8(10)12/h2-5H,1H3
InChIKeyUVJSAWYHEWDDEF-UHFFFAOYSA-N
XLogP3.33
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.09
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-chloro-8-ethylquinoline-3-carboxylate
CID 102614374
ethyl 4,8-dichloroquinoline-3-carboxylate
CID 728974
methyl 4,7,8-trichloroquinoline-3-carboxylate
CID 102614405
methyl 4,5,8-trichloroquinoline-3-carboxylate
CID 102614359
methyl 4,8-dichloro-5-fluoroquinoline-3-carboxylate
CID 107528768
dimethyl 8-chloroquinoline-2,4-dicarboxylate
CID 118171241
methyl 4,6-dichloro-8-methylquinoline-3-carboxylate
CID 102614436
4-chloro-8-methoxyquinoline-3-carboxylic acid;hydrochloride
CID 67617550
ethyl 4-chloro-8-iodoquinoline-3-carboxylate
CID 11792955
ethyl 4-bromo-8-chloroquinoline-3-carboxylate
CID 17040074
methyl 2-(2,3-dichlorophenyl)-5-fluoropyridine-4-carboxylate
CID 133090729
methyl 8-bromo-4-chloro-6-fluoroquinoline-3-carboxylate
CID 102614453

Frequently Asked Questions

What is the IUPAC name of methyl 4,8-dichloroquinoline-3-carboxylate?
The IUPAC name of methyl 4,8-dichloroquinoline-3-carboxylate (CID 112703942) is methyl 4,8-dichloroquinoline-3-carboxylate.
What is the SMILES notation for methyl 4,8-dichloroquinoline-3-carboxylate?
The canonical SMILES for methyl 4,8-dichloroquinoline-3-carboxylate is COC(=O)c1cnc2c(Cl)cccc2c1Cl.
What is the InChIKey of methyl 4,8-dichloroquinoline-3-carboxylate?
The InChIKey is UVJSAWYHEWDDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2NO2/c1-16-11(15)7-5-14-10-6(9(7)13)3-2-4-8(10)12/h2-5H,1H3.
What are the key properties of methyl 4,8-dichloroquinoline-3-carboxylate?
methyl 4,8-dichloroquinoline-3-carboxylate has a molecular weight of 256.09 g/mol, XLogP of 3.33, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4,8-dichloroquinoline-3-carboxylate is sourced from PubChem (CID 112703942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).