2-thiophen-2-ylethyl 2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate

C16H15NO3S — CID 71883822

IUPAC2-thiophen-2-ylethyl 2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate
SMILESO=C1CC(C(=O)OCCc2cccs2)c2ccccc2N1
InChIInChI=1S/C16H15NO3S/c18-15-10-13(12-5-1-2-6-14(12)17-15)16(19)20-8-7-11-4-3-9-21-11/h1-6,9,13H,7-8,10H2,(H,17,18)
InChIKeyYYYYTFBOWYKCOH-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.96
Rot. Bonds4

About 2-thiophen-2-ylethyl 2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate

2-thiophen-2-ylethyl 2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate (PubChem CID 71883822) has the molecular formula C16H15NO3S and a molecular weight of 301.37 g/mol. Its IUPAC name is 2-thiophen-2-ylethyl 2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate.

Molecular Properties

Compound Name2-thiophen-2-ylethyl 2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate
PubChem CID71883822
Molecular FormulaC16H15NO3S
Molecular Weight301.37 g/mol
Exact Mass301.08
IUPAC Name2-thiophen-2-ylethyl 2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate
SMILESO=C1CC(C(=O)OCCc2cccs2)c2ccccc2N1
InChIInChI=1S/C16H15NO3S/c18-15-10-13(12-5-1-2-6-14(12)17-15)16(19)20-8-7-11-4-3-9-21-11/h1-6,9,13H,7-8,10H2,(H,17,18)
InChIKeyYYYYTFBOWYKCOH-UHFFFAOYSA-N
XLogP2.96
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-ylethyl 2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate?
The IUPAC name of 2-thiophen-2-ylethyl 2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate (CID 71883822) is 2-thiophen-2-ylethyl 2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate.
What is the SMILES notation for 2-thiophen-2-ylethyl 2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate?
The canonical SMILES for 2-thiophen-2-ylethyl 2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate is O=C1CC(C(=O)OCCc2cccs2)c2ccccc2N1.
What is the InChIKey of 2-thiophen-2-ylethyl 2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate?
The InChIKey is YYYYTFBOWYKCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3S/c18-15-10-13(12-5-1-2-6-14(12)17-15)16(19)20-8-7-11-4-3-9-21-11/h1-6,9,13H,7-8,10H2,(H,17,18).
What are the key properties of 2-thiophen-2-ylethyl 2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate?
2-thiophen-2-ylethyl 2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate has a molecular weight of 301.37 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-ylethyl 2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate is sourced from PubChem (CID 71883822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).