6-chloro-2-(5-chlorothiophen-2-yl)-8-methylquinoline-4-carboxylic acid

C15H9Cl2NO2S — CID 5024097

IUPAC6-chloro-2-(5-chlorothiophen-2-yl)-8-methylquinoline-4-carboxylic acid
SMILESCc1cc(Cl)cc2c(C(=O)O)cc(-c3ccc(Cl)s3)nc12
InChIInChI=1S/C15H9Cl2NO2S/c1-7-4-8(16)5-9-10(15(19)20)6-11(18-14(7)9)12-2-3-13(17)21-12/h2-6H,1H3,(H,19,20)
InChIKeyLGLSSKMOSDGLAD-UHFFFAOYSA-N
MW338.22 g/mol
LogP5.28
Rot. Bonds2

About 6-chloro-2-(5-chlorothiophen-2-yl)-8-methylquinoline-4-carboxylic acid

6-chloro-2-(5-chlorothiophen-2-yl)-8-methylquinoline-4-carboxylic acid (PubChem CID 5024097) has the molecular formula C15H9Cl2NO2S and a molecular weight of 338.22 g/mol. Its IUPAC name is 6-chloro-2-(5-chlorothiophen-2-yl)-8-methylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-chloro-2-(5-chlorothiophen-2-yl)-8-methylquinoline-4-carboxylic acid
PubChem CID5024097
Molecular FormulaC15H9Cl2NO2S
Molecular Weight338.22 g/mol
Exact Mass336.97
IUPAC Name6-chloro-2-(5-chlorothiophen-2-yl)-8-methylquinoline-4-carboxylic acid
SMILESCc1cc(Cl)cc2c(C(=O)O)cc(-c3ccc(Cl)s3)nc12
InChIInChI=1S/C15H9Cl2NO2S/c1-7-4-8(16)5-9-10(15(19)20)6-11(18-14(7)9)12-2-3-13(17)21-12/h2-6H,1H3,(H,19,20)
InChIKeyLGLSSKMOSDGLAD-UHFFFAOYSA-N
XLogP5.28
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.22
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-2-(5-chlorothiophen-2-yl)-8-methylquinoline-4-carboxylic acid
CID 4016668
6-chloro-2-(4,5-dihydro-1-benzothiophen-2-yl)-8-methylquinoline-4-carboxylic acid
CID 145293220
6-chloro-8-methyl-2-pyridin-2-ylquinoline-4-carboxylic acid
CID 4261333
2-(5-chlorothiophen-2-yl)-8-methylquinoline-4-carbonyl chloride
CID 46779316
5-chloro-2-(5-chlorothiophen-2-yl)-8-fluoroquinoline-4-carboxylic acid
CID 63462330
8-fluoro-6-methyl-2-(5-methylthiophen-2-yl)quinoline-4-carboxylic acid
CID 63463310
potassium 2-(5-chlorothiophen-2-yl)-6-methylquinoline-4-carboxylate
CID 23686843
8-chloro-2-(5-chlorothiophen-2-yl)quinoline-4-carbonyl chloride
CID 46779517
2-(5-bromothiophen-2-yl)-7,8-dimethylquinoline-4-carboxylic acid
CID 63462150
6-(5-chlorothiophen-2-yl)-3-oxo-1,2-dihydropyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 62366086
6-chloro-8-hydroxy-2-methylquinoline-4-carboxylic acid
CID 154201700
6-(5-chlorothiophen-2-yl)-2-propan-2-ylpyridine-3-carboxylic acid
CID 116533409

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(5-chlorothiophen-2-yl)-8-methylquinoline-4-carboxylic acid?
The IUPAC name of 6-chloro-2-(5-chlorothiophen-2-yl)-8-methylquinoline-4-carboxylic acid (CID 5024097) is 6-chloro-2-(5-chlorothiophen-2-yl)-8-methylquinoline-4-carboxylic acid.
What is the SMILES notation for 6-chloro-2-(5-chlorothiophen-2-yl)-8-methylquinoline-4-carboxylic acid?
The canonical SMILES for 6-chloro-2-(5-chlorothiophen-2-yl)-8-methylquinoline-4-carboxylic acid is Cc1cc(Cl)cc2c(C(=O)O)cc(-c3ccc(Cl)s3)nc12.
What is the InChIKey of 6-chloro-2-(5-chlorothiophen-2-yl)-8-methylquinoline-4-carboxylic acid?
The InChIKey is LGLSSKMOSDGLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2NO2S/c1-7-4-8(16)5-9-10(15(19)20)6-11(18-14(7)9)12-2-3-13(17)21-12/h2-6H,1H3,(H,19,20).
What are the key properties of 6-chloro-2-(5-chlorothiophen-2-yl)-8-methylquinoline-4-carboxylic acid?
6-chloro-2-(5-chlorothiophen-2-yl)-8-methylquinoline-4-carboxylic acid has a molecular weight of 338.22 g/mol, XLogP of 5.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(5-chlorothiophen-2-yl)-8-methylquinoline-4-carboxylic acid is sourced from PubChem (CID 5024097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).