(2-oxo-2-thiophen-2-ylethyl) 2-oxo-1H-quinoline-4-carboxylate

C16H11NO4S — CID 937237

IUPAC(2-oxo-2-thiophen-2-ylethyl) 2-oxo-1H-quinoline-4-carboxylate
SMILESO=C(COC(=O)c1cc(=O)[nH]c2ccccc12)c1cccs1
InChIInChI=1S/C16H11NO4S/c18-13(14-6-3-7-22-14)9-21-16(20)11-8-15(19)17-12-5-2-1-4-10(11)12/h1-8H,9H2,(H,17,19)
InChIKeyNLBNSONWUQZUBV-UHFFFAOYSA-N
MW313.33 g/mol
LogP2.63
Rot. Bonds4

About (2-oxo-2-thiophen-2-ylethyl) 2-oxo-1H-quinoline-4-carboxylate

(2-oxo-2-thiophen-2-ylethyl) 2-oxo-1H-quinoline-4-carboxylate (PubChem CID 937237) has the molecular formula C16H11NO4S and a molecular weight of 313.33 g/mol. Its IUPAC name is (2-oxo-2-thiophen-2-ylethyl) 2-oxo-1H-quinoline-4-carboxylate.

Molecular Properties

Compound Name(2-oxo-2-thiophen-2-ylethyl) 2-oxo-1H-quinoline-4-carboxylate
PubChem CID937237
Molecular FormulaC16H11NO4S
Molecular Weight313.33 g/mol
Exact Mass313.04
IUPAC Name(2-oxo-2-thiophen-2-ylethyl) 2-oxo-1H-quinoline-4-carboxylate
SMILESO=C(COC(=O)c1cc(=O)[nH]c2ccccc12)c1cccs1
InChIInChI=1S/C16H11NO4S/c18-13(14-6-3-7-22-14)9-21-16(20)11-8-15(19)17-12-5-2-1-4-10(11)12/h1-8H,9H2,(H,17,19)
InChIKeyNLBNSONWUQZUBV-UHFFFAOYSA-N
XLogP2.63
TPSA76.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-thiophen-2-ylethyl) 2-oxo-1H-quinoline-4-carboxylate?
The IUPAC name of (2-oxo-2-thiophen-2-ylethyl) 2-oxo-1H-quinoline-4-carboxylate (CID 937237) is (2-oxo-2-thiophen-2-ylethyl) 2-oxo-1H-quinoline-4-carboxylate.
What is the SMILES notation for (2-oxo-2-thiophen-2-ylethyl) 2-oxo-1H-quinoline-4-carboxylate?
The canonical SMILES for (2-oxo-2-thiophen-2-ylethyl) 2-oxo-1H-quinoline-4-carboxylate is O=C(COC(=O)c1cc(=O)[nH]c2ccccc12)c1cccs1.
What is the InChIKey of (2-oxo-2-thiophen-2-ylethyl) 2-oxo-1H-quinoline-4-carboxylate?
The InChIKey is NLBNSONWUQZUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO4S/c18-13(14-6-3-7-22-14)9-21-16(20)11-8-15(19)17-12-5-2-1-4-10(11)12/h1-8H,9H2,(H,17,19).
What are the key properties of (2-oxo-2-thiophen-2-ylethyl) 2-oxo-1H-quinoline-4-carboxylate?
(2-oxo-2-thiophen-2-ylethyl) 2-oxo-1H-quinoline-4-carboxylate has a molecular weight of 313.33 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-thiophen-2-ylethyl) 2-oxo-1H-quinoline-4-carboxylate is sourced from PubChem (CID 937237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).