2-(5-bromothiophen-2-yl)-7,8-dimethylquinoline-4-carboxylic acid

C16H12BrNO2S — CID 63462150

IUPAC2-(5-bromothiophen-2-yl)-7,8-dimethylquinoline-4-carboxylic acid
SMILESCc1ccc2c(C(=O)O)cc(-c3ccc(Br)s3)nc2c1C
InChIInChI=1S/C16H12BrNO2S/c1-8-3-4-10-11(16(19)20)7-12(18-15(10)9(8)2)13-5-6-14(17)21-13/h3-7H,1-2H3,(H,19,20)
InChIKeyBHHMVYUEPURVNG-UHFFFAOYSA-N
MW362.25 g/mol
LogP5.04
Rot. Bonds2

About 2-(5-bromothiophen-2-yl)-7,8-dimethylquinoline-4-carboxylic acid

2-(5-bromothiophen-2-yl)-7,8-dimethylquinoline-4-carboxylic acid (PubChem CID 63462150) has the molecular formula C16H12BrNO2S and a molecular weight of 362.25 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-7,8-dimethylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-7,8-dimethylquinoline-4-carboxylic acid
PubChem CID63462150
Molecular FormulaC16H12BrNO2S
Molecular Weight362.25 g/mol
Exact Mass360.98
IUPAC Name2-(5-bromothiophen-2-yl)-7,8-dimethylquinoline-4-carboxylic acid
SMILESCc1ccc2c(C(=O)O)cc(-c3ccc(Br)s3)nc2c1C
InChIInChI=1S/C16H12BrNO2S/c1-8-3-4-10-11(16(19)20)7-12(18-15(10)9(8)2)13-5-6-14(17)21-13/h3-7H,1-2H3,(H,19,20)
InChIKeyBHHMVYUEPURVNG-UHFFFAOYSA-N
XLogP5.04
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.25
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(5-bromothiophen-2-yl)-7,8-dimethylquinoline-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7,8-dimethyl-2-(5-methylthiophen-2-yl)quinoline-4-carboxylate
CID 4513061
7-chloro-2-(5-chlorothiophen-2-yl)-8-methylquinoline-4-carboxylic acid
CID 4016668
8-fluoro-6-methyl-2-(5-methylthiophen-2-yl)quinoline-4-carboxylic acid
CID 63463310
2-(5-bromothiophen-2-yl)-6-ethylquinoline-4-carboxylic acid
CID 63463304
potassium 2-(5-bromothiophen-2-yl)-6-methylquinoline-4-carboxylate
CID 23688649
6-chloro-2-(5-chlorothiophen-2-yl)-8-methylquinoline-4-carboxylic acid
CID 5024097
2,7,8-trimethylquinoline-4-carboxamide
CID 82574045
4,7,8-trimethylquinoline-2-carboxylic acid
CID 82574760
6-(5-bromothiophen-2-yl)-3-methoxypyridazine-4-carboxylic acid
CID 117127047
2-(7-methoxy-1-benzofuran-2-yl)-7,8-dimethylquinoline-4-carboxylic acid
CID 3995413
6-(5-bromothiophen-2-yl)-2-propan-2-ylpyridine-3-carboxylic acid
CID 116533474
5-bromo-2-(5-methylthiophen-2-yl)quinoline-4-carboxylic acid
CID 29041657

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-7,8-dimethylquinoline-4-carboxylic acid?
The IUPAC name of 2-(5-bromothiophen-2-yl)-7,8-dimethylquinoline-4-carboxylic acid (CID 63462150) is 2-(5-bromothiophen-2-yl)-7,8-dimethylquinoline-4-carboxylic acid.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-7,8-dimethylquinoline-4-carboxylic acid?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-7,8-dimethylquinoline-4-carboxylic acid is Cc1ccc2c(C(=O)O)cc(-c3ccc(Br)s3)nc2c1C.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-7,8-dimethylquinoline-4-carboxylic acid?
The InChIKey is BHHMVYUEPURVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrNO2S/c1-8-3-4-10-11(16(19)20)7-12(18-15(10)9(8)2)13-5-6-14(17)21-13/h3-7H,1-2H3,(H,19,20).
What are the key properties of 2-(5-bromothiophen-2-yl)-7,8-dimethylquinoline-4-carboxylic acid?
2-(5-bromothiophen-2-yl)-7,8-dimethylquinoline-4-carboxylic acid has a molecular weight of 362.25 g/mol, XLogP of 5.04, 2 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)-7,8-dimethylquinoline-4-carboxylic acid is sourced from PubChem (CID 63462150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).