methyl 4,6,7-trichloroquinoline-2-carboxylate

C11H6Cl3NO2 — CID 34173870

IUPACmethyl 4,6,7-trichloroquinoline-2-carboxylate
SMILESCOC(=O)c1cc(Cl)c2cc(Cl)c(Cl)cc2n1
InChIInChI=1S/C11H6Cl3NO2/c1-17-11(16)10-3-6(12)5-2-7(13)8(14)4-9(5)15-10/h2-4H,1H3
InChIKeyIUORCKWAHAFGEX-UHFFFAOYSA-N
MW290.53 g/mol
LogP3.98
Rot. Bonds1

About methyl 4,6,7-trichloroquinoline-2-carboxylate

methyl 4,6,7-trichloroquinoline-2-carboxylate (PubChem CID 34173870) has the molecular formula C11H6Cl3NO2 and a molecular weight of 290.53 g/mol. Its IUPAC name is methyl 4,6,7-trichloroquinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 4,6,7-trichloroquinoline-2-carboxylate
PubChem CID34173870
Molecular FormulaC11H6Cl3NO2
Molecular Weight290.53 g/mol
Exact Mass288.95
IUPAC Namemethyl 4,6,7-trichloroquinoline-2-carboxylate
SMILESCOC(=O)c1cc(Cl)c2cc(Cl)c(Cl)cc2n1
InChIInChI=1S/C11H6Cl3NO2/c1-17-11(16)10-3-6(12)5-2-7(13)8(14)4-9(5)15-10/h2-4H,1H3
InChIKeyIUORCKWAHAFGEX-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-chloro-6,7-difluoroquinoline-2-carboxylate
CID 63376942
methyl 4-chloro-6,7-dimethoxyquinoline-2-carboxylate
CID 63376981
methyl 6-butan-2-yl-4-chloroquinoline-2-carboxylate
CID 63376606
4,6-dichloro-7-methoxyquinoline-2-carboxylic acid
CID 107623316
methyl 4,8-dichloro-7-fluoroquinoline-2-carboxylate
CID 171157588
methyl 7-chloro-4-methylquinoline-2-carboxylate
CID 82574602
methyl 8-bromo-4-chloroquinoline-2-carboxylate
CID 46739191
methyl 7-chloro-4-oxo-1H-quinoline-2-carboxylate;methyl 4,7-dichloroquinoline-2-carboxylate
CID 161384100
methyl 4-chloro-8-propylquinoline-2-carboxylate
CID 55183253
methyl 4-chloro-8-ethoxyquinoline-2-carboxylate
CID 63376560
4,6,7-trichloro-2-methylquinoline
CID 17039821
methyl 4-ethoxy-6,7-difluoroquinoline-2-carboxylate
CID 102941956

Frequently Asked Questions

What is the IUPAC name of methyl 4,6,7-trichloroquinoline-2-carboxylate?
The IUPAC name of methyl 4,6,7-trichloroquinoline-2-carboxylate (CID 34173870) is methyl 4,6,7-trichloroquinoline-2-carboxylate.
What is the SMILES notation for methyl 4,6,7-trichloroquinoline-2-carboxylate?
The canonical SMILES for methyl 4,6,7-trichloroquinoline-2-carboxylate is COC(=O)c1cc(Cl)c2cc(Cl)c(Cl)cc2n1.
What is the InChIKey of methyl 4,6,7-trichloroquinoline-2-carboxylate?
The InChIKey is IUORCKWAHAFGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl3NO2/c1-17-11(16)10-3-6(12)5-2-7(13)8(14)4-9(5)15-10/h2-4H,1H3.
What are the key properties of methyl 4,6,7-trichloroquinoline-2-carboxylate?
methyl 4,6,7-trichloroquinoline-2-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 4,6,7-trichloroquinoline-2-carboxylate is sourced from PubChem (CID 34173870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).