methyl 4,7,8-trichloroquinoline-3-carboxylate

C11H6Cl3NO2 — CID 102614405

IUPACmethyl 4,7,8-trichloroquinoline-3-carboxylate
SMILESCOC(=O)c1cnc2c(Cl)c(Cl)ccc2c1Cl
InChIInChI=1S/C11H6Cl3NO2/c1-17-11(16)6-4-15-10-5(8(6)13)2-3-7(12)9(10)14/h2-4H,1H3
InChIKeyOHIMJVZAMCHMHO-UHFFFAOYSA-N
MW290.53 g/mol
LogP3.98
Rot. Bonds1

About methyl 4,7,8-trichloroquinoline-3-carboxylate

methyl 4,7,8-trichloroquinoline-3-carboxylate (PubChem CID 102614405) has the molecular formula C11H6Cl3NO2 and a molecular weight of 290.53 g/mol. Its IUPAC name is methyl 4,7,8-trichloroquinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 4,7,8-trichloroquinoline-3-carboxylate
PubChem CID102614405
Molecular FormulaC11H6Cl3NO2
Molecular Weight290.53 g/mol
Exact Mass288.95
IUPAC Namemethyl 4,7,8-trichloroquinoline-3-carboxylate
SMILESCOC(=O)c1cnc2c(Cl)c(Cl)ccc2c1Cl
InChIInChI=1S/C11H6Cl3NO2/c1-17-11(16)6-4-15-10-5(8(6)13)2-3-7(12)9(10)14/h2-4H,1H3
InChIKeyOHIMJVZAMCHMHO-UHFFFAOYSA-N
XLogP3.98
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.53
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4,8-dichloroquinoline-3-carboxylate
CID 112703942
methyl 4,5,8-trichloroquinoline-3-carboxylate
CID 102614359
methyl 4,8-dichloro-5-fluoroquinoline-3-carboxylate
CID 107528768
methyl 4-chloro-8-ethylquinoline-3-carboxylate
CID 102614374
methyl 4,6-dichloro-8-methylquinoline-3-carboxylate
CID 102614436
methyl 5-fluoro-2-(2,3,6-trichlorophenyl)pyridine-3-carboxylate
CID 133090466
methyl 8-bromo-4-chloro-6-fluoroquinoline-3-carboxylate
CID 102614453
methyl 2-fluoro-3-(2,3,6-trichlorophenyl)pyridine-4-carboxylate
CID 133091002
methyl 4-bromo-5-chloro-8-fluoroquinoline-3-carboxylate
CID 102614363
methyl 8-bromo-4-chloro-5-fluoroquinoline-3-carboxylate
CID 107627758
methyl 4,6-dichloro-5,8-dimethoxyquinoline-3-carboxylate
CID 102614449
methyl 5-chloro-8-fluoro-4-(methylamino)quinoline-3-carboxylate
CID 102614784

Frequently Asked Questions

What is the IUPAC name of methyl 4,7,8-trichloroquinoline-3-carboxylate?
The IUPAC name of methyl 4,7,8-trichloroquinoline-3-carboxylate (CID 102614405) is methyl 4,7,8-trichloroquinoline-3-carboxylate.
What is the SMILES notation for methyl 4,7,8-trichloroquinoline-3-carboxylate?
The canonical SMILES for methyl 4,7,8-trichloroquinoline-3-carboxylate is COC(=O)c1cnc2c(Cl)c(Cl)ccc2c1Cl.
What is the InChIKey of methyl 4,7,8-trichloroquinoline-3-carboxylate?
The InChIKey is OHIMJVZAMCHMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl3NO2/c1-17-11(16)6-4-15-10-5(8(6)13)2-3-7(12)9(10)14/h2-4H,1H3.
What are the key properties of methyl 4,7,8-trichloroquinoline-3-carboxylate?
methyl 4,7,8-trichloroquinoline-3-carboxylate has a molecular weight of 290.53 g/mol, XLogP of 3.98, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4,7,8-trichloroquinoline-3-carboxylate is sourced from PubChem (CID 102614405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).