5-bromo-2-(5-methylthiophen-2-yl)quinoline-4-carboxylic acid

C15H10BrNO2S — CID 29041657

IUPAC5-bromo-2-(5-methylthiophen-2-yl)quinoline-4-carboxylic acid
SMILESCc1ccc(-c2cc(C(=O)O)c3c(Br)cccc3n2)s1
InChIInChI=1S/C15H10BrNO2S/c1-8-5-6-13(20-8)12-7-9(15(18)19)14-10(16)3-2-4-11(14)17-12/h2-7H,1H3,(H,18,19)
InChIKeySPWYONAMDYPJBD-UHFFFAOYSA-N
MW348.22 g/mol
LogP4.73
Rot. Bonds2

About 5-bromo-2-(5-methylthiophen-2-yl)quinoline-4-carboxylic acid

5-bromo-2-(5-methylthiophen-2-yl)quinoline-4-carboxylic acid (PubChem CID 29041657) has the molecular formula C15H10BrNO2S and a molecular weight of 348.22 g/mol. Its IUPAC name is 5-bromo-2-(5-methylthiophen-2-yl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name5-bromo-2-(5-methylthiophen-2-yl)quinoline-4-carboxylic acid
PubChem CID29041657
Molecular FormulaC15H10BrNO2S
Molecular Weight348.22 g/mol
Exact Mass346.96
IUPAC Name5-bromo-2-(5-methylthiophen-2-yl)quinoline-4-carboxylic acid
SMILESCc1ccc(-c2cc(C(=O)O)c3c(Br)cccc3n2)s1
InChIInChI=1S/C15H10BrNO2S/c1-8-5-6-13(20-8)12-7-9(15(18)19)14-10(16)3-2-4-11(14)17-12/h2-7H,1H3,(H,18,19)
InChIKeySPWYONAMDYPJBD-UHFFFAOYSA-N
XLogP4.73
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.22
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-bromo-2-(5-methylthiophen-2-yl)quinoline-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

5-bromo-2-(5-chlorothiophen-2-yl)quinoline-4-carboxylic acid
CID 4503814
5-bromo-2-thiophen-2-ylquinoline-4-carboxylic acid
CID 29051523
5-bromo-2-(5-fluoro-2-pyridinyl)quinoline-4-carboxylic acid
CID 83120187
2-(5-methylthiophen-2-yl)quinoline-4-carbonyl chloride
CID 46779249
2-(5-methylthiophen-2-yl)-6-propan-2-ylquinoline-4-carboxylic acid
CID 4001748
N-(3-methylphenyl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide
CID 1009474
2-(5-methylthiophen-2-yl)-N-naphthalen-1-ylquinoline-4-carboxamide
CID 4137703
8-fluoro-6-methyl-2-(5-methylthiophen-2-yl)quinoline-4-carboxylic acid
CID 63463310
2-(5-methylthiophen-2-yl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid
CID 3918730
(4-benzhydrylpiperazin-1-yl)-[2-(5-methylthiophen-2-yl)quinolin-4-yl]methanone
CID 1010741
2-(5-methylthiophen-2-yl)-N-(1,2,4-triazol-4-yl)quinoline-4-carboxamide
CID 19685073
5-bromo-2,3-dimethylquinoline-4-carboxylic acid
CID 61355427

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(5-methylthiophen-2-yl)quinoline-4-carboxylic acid?
The IUPAC name of 5-bromo-2-(5-methylthiophen-2-yl)quinoline-4-carboxylic acid (CID 29041657) is 5-bromo-2-(5-methylthiophen-2-yl)quinoline-4-carboxylic acid.
What is the SMILES notation for 5-bromo-2-(5-methylthiophen-2-yl)quinoline-4-carboxylic acid?
The canonical SMILES for 5-bromo-2-(5-methylthiophen-2-yl)quinoline-4-carboxylic acid is Cc1ccc(-c2cc(C(=O)O)c3c(Br)cccc3n2)s1.
What is the InChIKey of 5-bromo-2-(5-methylthiophen-2-yl)quinoline-4-carboxylic acid?
The InChIKey is SPWYONAMDYPJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrNO2S/c1-8-5-6-13(20-8)12-7-9(15(18)19)14-10(16)3-2-4-11(14)17-12/h2-7H,1H3,(H,18,19).
What are the key properties of 5-bromo-2-(5-methylthiophen-2-yl)quinoline-4-carboxylic acid?
5-bromo-2-(5-methylthiophen-2-yl)quinoline-4-carboxylic acid has a molecular weight of 348.22 g/mol, XLogP of 4.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(5-methylthiophen-2-yl)quinoline-4-carboxylic acid is sourced from PubChem (CID 29041657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).