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

C15H9Cl2NO2S — CID 4016668

IUPAC7-chloro-2-(5-chlorothiophen-2-yl)-8-methylquinoline-4-carboxylic acid
SMILESCc1c(Cl)ccc2c(C(=O)O)cc(-c3ccc(Cl)s3)nc12
InChIInChI=1S/C15H9Cl2NO2S/c1-7-10(16)3-2-8-9(15(19)20)6-11(18-14(7)8)12-4-5-13(17)21-12/h2-6H,1H3,(H,19,20)
InChIKeyMJFBJMKOBCFSFU-UHFFFAOYSA-N
MW338.22 g/mol
LogP5.28
Rot. Bonds2

About 7-chloro-2-(5-chlorothiophen-2-yl)-8-methylquinoline-4-carboxylic acid

7-chloro-2-(5-chlorothiophen-2-yl)-8-methylquinoline-4-carboxylic acid (PubChem CID 4016668) has the molecular formula C15H9Cl2NO2S and a molecular weight of 338.22 g/mol. Its IUPAC name is 7-chloro-2-(5-chlorothiophen-2-yl)-8-methylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name7-chloro-2-(5-chlorothiophen-2-yl)-8-methylquinoline-4-carboxylic acid
PubChem CID4016668
Molecular FormulaC15H9Cl2NO2S
Molecular Weight338.22 g/mol
Exact Mass336.97
IUPAC Name7-chloro-2-(5-chlorothiophen-2-yl)-8-methylquinoline-4-carboxylic acid
SMILESCc1c(Cl)ccc2c(C(=O)O)cc(-c3ccc(Cl)s3)nc12
InChIInChI=1S/C15H9Cl2NO2S/c1-7-10(16)3-2-8-9(15(19)20)6-11(18-14(7)8)12-4-5-13(17)21-12/h2-6H,1H3,(H,19,20)
InChIKeyMJFBJMKOBCFSFU-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

6-chloro-2-(5-chlorothiophen-2-yl)-8-methylquinoline-4-carboxylic acid
CID 5024097
5-chloro-2-(5-chlorothiophen-2-yl)-8-fluoroquinoline-4-carboxylic acid
CID 63462330
2-(5-bromothiophen-2-yl)-7,8-dimethylquinoline-4-carboxylic acid
CID 63462150
2-(5-chlorothiophen-2-yl)-8-methylquinoline-4-carbonyl chloride
CID 46779316
8-chloro-2-(5-chlorothiophen-2-yl)quinoline-4-carbonyl chloride
CID 46779517
7-chloro-8-methyl-2-(methylaminomethyl)quinoline-4-carboxylic acid
CID 84639663
8-fluoro-6-methyl-2-(5-methylthiophen-2-yl)quinoline-4-carboxylic acid
CID 63463310
7,8-dimethyl-2-(5-methylthiophen-2-yl)quinoline-4-carboxylate
CID 4513061
potassium 2-(5-chlorothiophen-2-yl)-6-methylquinoline-4-carboxylate
CID 23686843
7,8-dichloro-2-(2-methyl-1,3-thiazol-4-yl)quinoline-4-carboxylic acid
CID 115586989
(7-chloro-8-methyl-2-phenylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone
CID 17372354
7-chloro-N-(3,4-dichlorophenyl)-8-methyl-2-phenylquinoline-4-carboxamide
CID 17368895

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(5-chlorothiophen-2-yl)-8-methylquinoline-4-carboxylic acid?
The IUPAC name of 7-chloro-2-(5-chlorothiophen-2-yl)-8-methylquinoline-4-carboxylic acid (CID 4016668) is 7-chloro-2-(5-chlorothiophen-2-yl)-8-methylquinoline-4-carboxylic acid.
What is the SMILES notation for 7-chloro-2-(5-chlorothiophen-2-yl)-8-methylquinoline-4-carboxylic acid?
The canonical SMILES for 7-chloro-2-(5-chlorothiophen-2-yl)-8-methylquinoline-4-carboxylic acid is Cc1c(Cl)ccc2c(C(=O)O)cc(-c3ccc(Cl)s3)nc12.
What is the InChIKey of 7-chloro-2-(5-chlorothiophen-2-yl)-8-methylquinoline-4-carboxylic acid?
The InChIKey is MJFBJMKOBCFSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2NO2S/c1-7-10(16)3-2-8-9(15(19)20)6-11(18-14(7)8)12-4-5-13(17)21-12/h2-6H,1H3,(H,19,20).
What are the key properties of 7-chloro-2-(5-chlorothiophen-2-yl)-8-methylquinoline-4-carboxylic acid?
7-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 7-chloro-2-(5-chlorothiophen-2-yl)-8-methylquinoline-4-carboxylic acid is sourced from PubChem (CID 4016668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).