4-oxo-6-thiophen-2-yl-1H-quinoline-3-carboxylic acid

C14H9NO3S — CID 70686353

IUPAC4-oxo-6-thiophen-2-yl-1H-quinoline-3-carboxylic acid
SMILESO=C(O)c1c[nH]c2ccc(-c3cccs3)cc2c1=O
InChIInChI=1S/C14H9NO3S/c16-13-9-6-8(12-2-1-5-19-12)3-4-11(9)15-7-10(13)14(17)18/h1-7H,(H,15,16)(H,17,18)
InChIKeyVLNDQQGGPUDVEY-UHFFFAOYSA-N
MW271.30 g/mol
LogP2.95
Rot. Bonds2

About 4-oxo-6-thiophen-2-yl-1H-quinoline-3-carboxylic acid

4-oxo-6-thiophen-2-yl-1H-quinoline-3-carboxylic acid (PubChem CID 70686353) has the molecular formula C14H9NO3S and a molecular weight of 271.30 g/mol. Its IUPAC name is 4-oxo-6-thiophen-2-yl-1H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name4-oxo-6-thiophen-2-yl-1H-quinoline-3-carboxylic acid
PubChem CID70686353
Molecular FormulaC14H9NO3S
Molecular Weight271.30 g/mol
Exact Mass271.03
IUPAC Name4-oxo-6-thiophen-2-yl-1H-quinoline-3-carboxylic acid
SMILESO=C(O)c1c[nH]c2ccc(-c3cccs3)cc2c1=O
InChIInChI=1S/C14H9NO3S/c16-13-9-6-8(12-2-1-5-19-12)3-4-11(9)15-7-10(13)14(17)18/h1-7H,(H,15,16)(H,17,18)
InChIKeyVLNDQQGGPUDVEY-UHFFFAOYSA-N
XLogP2.95
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 16768750
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2-fluoro-5-thiophen-2-ylbenzoic acid
CID 16768898
2-methyl-5-thiophen-2-ylbenzoic acid
CID 65309680
2-(5-thiophen-2-yl-1H-indol-3-yl)ethanamine
CID 10198700
7-oxo-4H-thieno[3,2-b]pyridine-6-carboxylic acid
CID 11008836
N-methylmethanamine;1-(5-thiophen-2-yl-1H-indol-3-yl)ethanol
CID 67721566
2-(carboxymethyl)-4-thiophen-2-ylbenzoic acid
CID 121004062
5-(4-methylphenyl)-1H-indole-3-carboxylic acid
CID 82297777
5-(4-chlorophenyl)-1H-indole-3-carboxylic acid
CID 82306175
4-(4-thiophen-2-ylphenyl)benzoic acid
CID 53472759
5-(3,5-dichlorophenyl)-1H-indole-3-carboxylic acid
CID 172654759

Frequently Asked Questions

What is the IUPAC name of 4-oxo-6-thiophen-2-yl-1H-quinoline-3-carboxylic acid?
The IUPAC name of 4-oxo-6-thiophen-2-yl-1H-quinoline-3-carboxylic acid (CID 70686353) is 4-oxo-6-thiophen-2-yl-1H-quinoline-3-carboxylic acid.
What is the SMILES notation for 4-oxo-6-thiophen-2-yl-1H-quinoline-3-carboxylic acid?
The canonical SMILES for 4-oxo-6-thiophen-2-yl-1H-quinoline-3-carboxylic acid is O=C(O)c1c[nH]c2ccc(-c3cccs3)cc2c1=O.
What is the InChIKey of 4-oxo-6-thiophen-2-yl-1H-quinoline-3-carboxylic acid?
The InChIKey is VLNDQQGGPUDVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO3S/c16-13-9-6-8(12-2-1-5-19-12)3-4-11(9)15-7-10(13)14(17)18/h1-7H,(H,15,16)(H,17,18).
What are the key properties of 4-oxo-6-thiophen-2-yl-1H-quinoline-3-carboxylic acid?
4-oxo-6-thiophen-2-yl-1H-quinoline-3-carboxylic acid has a molecular weight of 271.30 g/mol, XLogP of 2.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-6-thiophen-2-yl-1H-quinoline-3-carboxylic acid is sourced from PubChem (CID 70686353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).