2-(5-bromothiophen-2-yl)quinoline-4-carboxylic acid

C14H8BrNO2S — CID 759120

IUPAC2-(5-bromothiophen-2-yl)quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(Br)s2)nc2ccccc12
InChIInChI=1S/C14H8BrNO2S/c15-13-6-5-12(19-13)11-7-9(14(17)18)8-3-1-2-4-10(8)16-11/h1-7H,(H,17,18)
InChIKeyUSPKYPKYLWABGE-UHFFFAOYSA-N
MW334.19 g/mol
LogP4.42
Rot. Bonds2

About 2-(5-bromothiophen-2-yl)quinoline-4-carboxylic acid

2-(5-bromothiophen-2-yl)quinoline-4-carboxylic acid (PubChem CID 759120) has the molecular formula C14H8BrNO2S and a molecular weight of 334.19 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)quinoline-4-carboxylic acid
PubChem CID759120
Molecular FormulaC14H8BrNO2S
Molecular Weight334.19 g/mol
Exact Mass332.95
IUPAC Name2-(5-bromothiophen-2-yl)quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(Br)s2)nc2ccccc12
InChIInChI=1S/C14H8BrNO2S/c15-13-6-5-12(19-13)11-7-9(14(17)18)8-3-1-2-4-10(8)16-11/h1-7H,(H,17,18)
InChIKeyUSPKYPKYLWABGE-UHFFFAOYSA-N
XLogP4.42
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.19
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)quinoline-4-carboxylic acid?
The IUPAC name of 2-(5-bromothiophen-2-yl)quinoline-4-carboxylic acid (CID 759120) is 2-(5-bromothiophen-2-yl)quinoline-4-carboxylic acid.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)quinoline-4-carboxylic acid?
The canonical SMILES for 2-(5-bromothiophen-2-yl)quinoline-4-carboxylic acid is O=C(O)c1cc(-c2ccc(Br)s2)nc2ccccc12.
What is the InChIKey of 2-(5-bromothiophen-2-yl)quinoline-4-carboxylic acid?
The InChIKey is USPKYPKYLWABGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrNO2S/c15-13-6-5-12(19-13)11-7-9(14(17)18)8-3-1-2-4-10(8)16-11/h1-7H,(H,17,18).
What are the key properties of 2-(5-bromothiophen-2-yl)quinoline-4-carboxylic acid?
2-(5-bromothiophen-2-yl)quinoline-4-carboxylic acid has a molecular weight of 334.19 g/mol, XLogP of 4.42, 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)quinoline-4-carboxylic acid is sourced from PubChem (CID 759120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).