8-ethyl-5-oxo-2,3-dihydrothieno[3,2-g]quinoline-6-carboxylic acid

C14H13NO3S — CID 16639598

IUPAC8-ethyl-5-oxo-2,3-dihydrothieno[3,2-g]quinoline-6-carboxylic acid
SMILESCCn1cc(C(=O)O)c(=O)c2cc3c(cc21)SCC3
InChIInChI=1S/C14H13NO3S/c1-2-15-7-10(14(17)18)13(16)9-5-8-3-4-19-12(8)6-11(9)15/h5-7H,2-4H2,1H3,(H,17,18)
InChIKeyUMIQAYSZHNJEGP-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.37
Rot. Bonds2

About 8-ethyl-5-oxo-2,3-dihydrothieno[3,2-g]quinoline-6-carboxylic acid

8-ethyl-5-oxo-2,3-dihydrothieno[3,2-g]quinoline-6-carboxylic acid (PubChem CID 16639598) has the molecular formula C14H13NO3S and a molecular weight of 275.33 g/mol. Its IUPAC name is 8-ethyl-5-oxo-2,3-dihydrothieno[3,2-g]quinoline-6-carboxylic acid.

Molecular Properties

Compound Name8-ethyl-5-oxo-2,3-dihydrothieno[3,2-g]quinoline-6-carboxylic acid
PubChem CID16639598
Molecular FormulaC14H13NO3S
Molecular Weight275.33 g/mol
Exact Mass275.06
IUPAC Name8-ethyl-5-oxo-2,3-dihydrothieno[3,2-g]quinoline-6-carboxylic acid
SMILESCCn1cc(C(=O)O)c(=O)c2cc3c(cc21)SCC3
InChIInChI=1S/C14H13NO3S/c1-2-15-7-10(14(17)18)13(16)9-5-8-3-4-19-12(8)6-11(9)15/h5-7H,2-4H2,1H3,(H,17,18)
InChIKeyUMIQAYSZHNJEGP-UHFFFAOYSA-N
XLogP2.37
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-7-fluoro-6-iodo-4-oxoquinoline-3-carboxylic acid
CID 68795840
1-ethyl-4-oxo-6,7-di(piperazin-1-yl)quinoline-3-carboxylic acid
CID 15797326
1-ethyl-6-(18F)fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
CID 10892926
potassium;1-ethyl-6-fluoro-4-oxo-7-thiomorpholin-4-ylquinoline-3-carboxylic acid;hydride
CID 173371449
7-bromo-1-ethyl-4-oxoquinoline-3-carboxylic acid
CID 50877261
1-ethyl-6-fluoro-7-(hydroxyamino)-4-oxoquinoline-3-carboxylic acid
CID 14148324
6-chloro-1-ethyl-4-oxo-7-piperidin-1-ylquinoline-3-carboxylic acid
CID 12944899
7-(azepan-1-yl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 30380123
1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid;hydrate
CID 19829982
7-(1,3-dihydroisoindol-2-yl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 14795805
5-ethyl-8-oxo-1H-imidazo[4,5-g]quinoline-7-carboxylic acid
CID 14494846
1-ethyl-6-iodo-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid
CID 102122995

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-5-oxo-2,3-dihydrothieno[3,2-g]quinoline-6-carboxylic acid?
The IUPAC name of 8-ethyl-5-oxo-2,3-dihydrothieno[3,2-g]quinoline-6-carboxylic acid (CID 16639598) is 8-ethyl-5-oxo-2,3-dihydrothieno[3,2-g]quinoline-6-carboxylic acid.
What is the SMILES notation for 8-ethyl-5-oxo-2,3-dihydrothieno[3,2-g]quinoline-6-carboxylic acid?
The canonical SMILES for 8-ethyl-5-oxo-2,3-dihydrothieno[3,2-g]quinoline-6-carboxylic acid is CCn1cc(C(=O)O)c(=O)c2cc3c(cc21)SCC3.
What is the InChIKey of 8-ethyl-5-oxo-2,3-dihydrothieno[3,2-g]quinoline-6-carboxylic acid?
The InChIKey is UMIQAYSZHNJEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3S/c1-2-15-7-10(14(17)18)13(16)9-5-8-3-4-19-12(8)6-11(9)15/h5-7H,2-4H2,1H3,(H,17,18).
What are the key properties of 8-ethyl-5-oxo-2,3-dihydrothieno[3,2-g]quinoline-6-carboxylic acid?
8-ethyl-5-oxo-2,3-dihydrothieno[3,2-g]quinoline-6-carboxylic acid has a molecular weight of 275.33 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-5-oxo-2,3-dihydrothieno[3,2-g]quinoline-6-carboxylic acid is sourced from PubChem (CID 16639598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).