6-bromo-2-thiophen-2-ylquinoline-4-carboxylic acid

C14H8BrNO2S — CID 755656

IUPAC6-bromo-2-thiophen-2-ylquinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2cccs2)nc2ccc(Br)cc12
InChIInChI=1S/C14H8BrNO2S/c15-8-3-4-11-9(6-8)10(14(17)18)7-12(16-11)13-2-1-5-19-13/h1-7H,(H,17,18)
InChIKeyKYHKYEUYJZTRCP-UHFFFAOYSA-N
MW334.19 g/mol
LogP4.42
Rot. Bonds2

About 6-bromo-2-thiophen-2-ylquinoline-4-carboxylic acid

6-bromo-2-thiophen-2-ylquinoline-4-carboxylic acid (PubChem CID 755656) has the molecular formula C14H8BrNO2S and a molecular weight of 334.19 g/mol. Its IUPAC name is 6-bromo-2-thiophen-2-ylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-bromo-2-thiophen-2-ylquinoline-4-carboxylic acid
PubChem CID755656
Molecular FormulaC14H8BrNO2S
Molecular Weight334.19 g/mol
Exact Mass332.95
IUPAC Name6-bromo-2-thiophen-2-ylquinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2cccs2)nc2ccc(Br)cc12
InChIInChI=1S/C14H8BrNO2S/c15-8-3-4-11-9(6-8)10(14(17)18)7-12(16-11)13-2-1-5-19-13/h1-7H,(H,17,18)
InChIKeyKYHKYEUYJZTRCP-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 6-bromo-2-thiophen-2-ylquinoline-4-carboxylic acid?
The IUPAC name of 6-bromo-2-thiophen-2-ylquinoline-4-carboxylic acid (CID 755656) is 6-bromo-2-thiophen-2-ylquinoline-4-carboxylic acid.
What is the SMILES notation for 6-bromo-2-thiophen-2-ylquinoline-4-carboxylic acid?
The canonical SMILES for 6-bromo-2-thiophen-2-ylquinoline-4-carboxylic acid is O=C(O)c1cc(-c2cccs2)nc2ccc(Br)cc12.
What is the InChIKey of 6-bromo-2-thiophen-2-ylquinoline-4-carboxylic acid?
The InChIKey is KYHKYEUYJZTRCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrNO2S/c15-8-3-4-11-9(6-8)10(14(17)18)7-12(16-11)13-2-1-5-19-13/h1-7H,(H,17,18).
What are the key properties of 6-bromo-2-thiophen-2-ylquinoline-4-carboxylic acid?
6-bromo-2-thiophen-2-ylquinoline-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 6-bromo-2-thiophen-2-ylquinoline-4-carboxylic acid is sourced from PubChem (CID 755656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).