2-(5-bromothiophen-2-yl)-6-ethylquinoline-4-carboxylic acid

C16H12BrNO2S — CID 63463304

IUPAC2-(5-bromothiophen-2-yl)-6-ethylquinoline-4-carboxylic acid
SMILESCCc1ccc2nc(-c3ccc(Br)s3)cc(C(=O)O)c2c1
InChIInChI=1S/C16H12BrNO2S/c1-2-9-3-4-12-10(7-9)11(16(19)20)8-13(18-12)14-5-6-15(17)21-14/h3-8H,2H2,1H3,(H,19,20)
InChIKeyWJIBHRGMVXSQOT-UHFFFAOYSA-N
MW362.25 g/mol
LogP4.99
Rot. Bonds3

About 2-(5-bromothiophen-2-yl)-6-ethylquinoline-4-carboxylic acid

2-(5-bromothiophen-2-yl)-6-ethylquinoline-4-carboxylic acid (PubChem CID 63463304) has the molecular formula C16H12BrNO2S and a molecular weight of 362.25 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-6-ethylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-6-ethylquinoline-4-carboxylic acid
PubChem CID63463304
Molecular FormulaC16H12BrNO2S
Molecular Weight362.25 g/mol
Exact Mass360.98
IUPAC Name2-(5-bromothiophen-2-yl)-6-ethylquinoline-4-carboxylic acid
SMILESCCc1ccc2nc(-c3ccc(Br)s3)cc(C(=O)O)c2c1
InChIInChI=1S/C16H12BrNO2S/c1-2-9-3-4-12-10(7-9)11(16(19)20)8-13(18-12)14-5-6-15(17)21-14/h3-8H,2H2,1H3,(H,19,20)
InChIKeyWJIBHRGMVXSQOT-UHFFFAOYSA-N
XLogP4.99
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.25
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-ethyl-2-thiophen-2-ylquinoline-4-carboxylic acid
CID 860396
2-bromo-6-ethylquinoline-4-carboxylic acid
CID 82184197
potassium 2-(5-bromothiophen-2-yl)-6-methylquinoline-4-carboxylate
CID 23688649
potassium 6-bromo-2-(5-bromothiophen-2-yl)quinoline-4-carboxylate
CID 23711748
2-(4-ethoxyphenyl)-6-ethylquinoline-4-carboxylic acid
CID 4021744
2-(4-ethylphenyl)-6-methylquinoline-4-carboxylic acid
CID 1225955
6-ethyl-2-propan-2-ylquinoline-4-carboxylic acid
CID 5133447
6-ethylquinoline-4-carboxylic acid
CID 83527113
2-(5-bromothiophen-2-yl)-7,8-dimethylquinoline-4-carboxylic acid
CID 63462150
6-ethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylic acid
CID 4711645
6-ethyl-2-(5-fluoro-2-methoxyphenyl)quinoline-4-carboxylic acid
CID 4538129
6-ethyl-2-piperidin-4-ylquinoline-4-carboxylic acid
CID 84643398

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-6-ethylquinoline-4-carboxylic acid?
The IUPAC name of 2-(5-bromothiophen-2-yl)-6-ethylquinoline-4-carboxylic acid (CID 63463304) is 2-(5-bromothiophen-2-yl)-6-ethylquinoline-4-carboxylic acid.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-6-ethylquinoline-4-carboxylic acid?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-6-ethylquinoline-4-carboxylic acid is CCc1ccc2nc(-c3ccc(Br)s3)cc(C(=O)O)c2c1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-6-ethylquinoline-4-carboxylic acid?
The InChIKey is WJIBHRGMVXSQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrNO2S/c1-2-9-3-4-12-10(7-9)11(16(19)20)8-13(18-12)14-5-6-15(17)21-14/h3-8H,2H2,1H3,(H,19,20).
What are the key properties of 2-(5-bromothiophen-2-yl)-6-ethylquinoline-4-carboxylic acid?
2-(5-bromothiophen-2-yl)-6-ethylquinoline-4-carboxylic acid has a molecular weight of 362.25 g/mol, XLogP of 4.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-6-ethylquinoline-4-carboxylic acid is sourced from PubChem (CID 63463304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).