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

C14H7BrClNO2S — CID 4503814

IUPAC5-bromo-2-(5-chlorothiophen-2-yl)quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(Cl)s2)nc2cccc(Br)c12
InChIInChI=1S/C14H7BrClNO2S/c15-8-2-1-3-9-13(8)7(14(18)19)6-10(17-9)11-4-5-12(16)20-11/h1-6H,(H,18,19)
InChIKeyJFEQJJADWQGBOJ-UHFFFAOYSA-N
MW368.64 g/mol
LogP5.08
Rot. Bonds2

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

5-bromo-2-(5-chlorothiophen-2-yl)quinoline-4-carboxylic acid (PubChem CID 4503814) has the molecular formula C14H7BrClNO2S and a molecular weight of 368.64 g/mol. Its IUPAC name is 5-bromo-2-(5-chlorothiophen-2-yl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name5-bromo-2-(5-chlorothiophen-2-yl)quinoline-4-carboxylic acid
PubChem CID4503814
Molecular FormulaC14H7BrClNO2S
Molecular Weight368.64 g/mol
Exact Mass366.91
IUPAC Name5-bromo-2-(5-chlorothiophen-2-yl)quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(Cl)s2)nc2cccc(Br)c12
InChIInChI=1S/C14H7BrClNO2S/c15-8-2-1-3-9-13(8)7(14(18)19)6-10(17-9)11-4-5-12(16)20-11/h1-6H,(H,18,19)
InChIKeyJFEQJJADWQGBOJ-UHFFFAOYSA-N
XLogP5.08
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.64
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-(5-methylthiophen-2-yl)quinoline-4-carboxylic acid
CID 29041657
5-bromo-2-thiophen-2-ylquinoline-4-carboxylic acid
CID 29051523
5-bromo-2-(5-fluoro-2-pyridinyl)quinoline-4-carboxylic acid
CID 83120187
6-(5-chlorothiophen-2-yl)-3-oxo-1,2-dihydropyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 62366086
5-chloro-2-(5-chlorothiophen-2-yl)-8-fluoroquinoline-4-carboxylic acid
CID 63462330
2-(5-chlorothiophen-2-yl)-N-(3-methylphenyl)quinoline-4-carboxamide
CID 1219796
2-(5-chlorothiophen-2-yl)-N-[3-[[2-(5-chlorothiophen-2-yl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide
CID 3689968
N-(4-anilinophenyl)-2-(5-chlorothiophen-2-yl)quinoline-4-carboxamide
CID 4155187
6-chloro-2-(5-chlorothiophen-2-yl)-8-methylquinoline-4-carboxylic acid
CID 5024097
7-chloro-2-(5-chlorothiophen-2-yl)-8-methylquinoline-4-carboxylic acid
CID 4016668
2-(5-chlorothiophen-2-yl)-N,N-dicyclohexylquinoline-4-carboxamide
CID 4610681
potassium 2-(5-chlorothiophen-2-yl)-6-methylquinoline-4-carboxylate
CID 23686843

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(5-chlorothiophen-2-yl)quinoline-4-carboxylic acid?
The IUPAC name of 5-bromo-2-(5-chlorothiophen-2-yl)quinoline-4-carboxylic acid (CID 4503814) is 5-bromo-2-(5-chlorothiophen-2-yl)quinoline-4-carboxylic acid.
What is the SMILES notation for 5-bromo-2-(5-chlorothiophen-2-yl)quinoline-4-carboxylic acid?
The canonical SMILES for 5-bromo-2-(5-chlorothiophen-2-yl)quinoline-4-carboxylic acid is O=C(O)c1cc(-c2ccc(Cl)s2)nc2cccc(Br)c12.
What is the InChIKey of 5-bromo-2-(5-chlorothiophen-2-yl)quinoline-4-carboxylic acid?
The InChIKey is JFEQJJADWQGBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrClNO2S/c15-8-2-1-3-9-13(8)7(14(18)19)6-10(17-9)11-4-5-12(16)20-11/h1-6H,(H,18,19).
What are the key properties of 5-bromo-2-(5-chlorothiophen-2-yl)quinoline-4-carboxylic acid?
5-bromo-2-(5-chlorothiophen-2-yl)quinoline-4-carboxylic acid has a molecular weight of 368.64 g/mol, XLogP of 5.08, 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-chlorothiophen-2-yl)quinoline-4-carboxylic acid is sourced from PubChem (CID 4503814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).