methyl 5,8-dichloro-2-methylquinoline-4-carboxylate

C12H9Cl2NO2 — CID 82574673

IUPACmethyl 5,8-dichloro-2-methylquinoline-4-carboxylate
SMILESCOC(=O)c1cc(C)nc2c(Cl)ccc(Cl)c12
InChIInChI=1S/C12H9Cl2NO2/c1-6-5-7(12(16)17-2)10-8(13)3-4-9(14)11(10)15-6/h3-5H,1-2H3
InChIKeyLZQWJKFDMYKQCX-UHFFFAOYSA-N
MW270.12 g/mol
LogP3.64
Rot. Bonds1

About methyl 5,8-dichloro-2-methylquinoline-4-carboxylate

methyl 5,8-dichloro-2-methylquinoline-4-carboxylate (PubChem CID 82574673) has the molecular formula C12H9Cl2NO2 and a molecular weight of 270.12 g/mol. Its IUPAC name is methyl 5,8-dichloro-2-methylquinoline-4-carboxylate.

Molecular Properties

Compound Namemethyl 5,8-dichloro-2-methylquinoline-4-carboxylate
PubChem CID82574673
Molecular FormulaC12H9Cl2NO2
Molecular Weight270.12 g/mol
Exact Mass269.00
IUPAC Namemethyl 5,8-dichloro-2-methylquinoline-4-carboxylate
SMILESCOC(=O)c1cc(C)nc2c(Cl)ccc(Cl)c12
InChIInChI=1S/C12H9Cl2NO2/c1-6-5-7(12(16)17-2)10-8(13)3-4-9(14)11(10)15-6/h3-5H,1-2H3
InChIKeyLZQWJKFDMYKQCX-UHFFFAOYSA-N
XLogP3.64
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.12
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 6,8-dichloro-2-methylquinoline-4-carboxylate
CID 82574672
(5,8-dichloro-2-methylquinolin-4-yl)hydrazine
CID 17039932
methyl 4,5,8-trichloroquinoline-3-carboxylate
CID 102614359
(E)-3-(5,8-dichloro-2-methylquinolin-4-yl)prop-2-enoic acid
CID 82580251
dimethyl 8-chloroquinoline-2,4-dicarboxylate
CID 118171241
methyl 2-chloro-6-methylpyridine-4-carboxylate
CID 2759833
ethane;methyl 2-chloro-6-methylpyridine-4-carboxylate
CID 142241895
methyl 2-chloro-5-(6-methyl-3-pyridinyl)benzoate
CID 58818175
methyl 6-chloro-2-(2,3,6-trichlorophenyl)pyridine-3-carboxylate
CID 133087927
methyl 2-(5,6,8-trichloro-2-methylquinolin-4-yl)acetate
CID 82575199
5,6,8-trichloro-2-methylquinoline-4-carboxylic acid
CID 82574812
3-chloro-5-methoxycarbonyl-6-methylpyridine-2-carboxylic acid
CID 162377384

Frequently Asked Questions

What is the IUPAC name of methyl 5,8-dichloro-2-methylquinoline-4-carboxylate?
The IUPAC name of methyl 5,8-dichloro-2-methylquinoline-4-carboxylate (CID 82574673) is methyl 5,8-dichloro-2-methylquinoline-4-carboxylate.
What is the SMILES notation for methyl 5,8-dichloro-2-methylquinoline-4-carboxylate?
The canonical SMILES for methyl 5,8-dichloro-2-methylquinoline-4-carboxylate is COC(=O)c1cc(C)nc2c(Cl)ccc(Cl)c12.
What is the InChIKey of methyl 5,8-dichloro-2-methylquinoline-4-carboxylate?
The InChIKey is LZQWJKFDMYKQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2NO2/c1-6-5-7(12(16)17-2)10-8(13)3-4-9(14)11(10)15-6/h3-5H,1-2H3.
What are the key properties of methyl 5,8-dichloro-2-methylquinoline-4-carboxylate?
methyl 5,8-dichloro-2-methylquinoline-4-carboxylate has a molecular weight of 270.12 g/mol, XLogP of 3.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5,8-dichloro-2-methylquinoline-4-carboxylate is sourced from PubChem (CID 82574673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).