ethyl 2-(1-ethyl-2-oxoquinolin-4-yl)sulfanylacetate

C15H17NO3S — CID 6621092

IUPACethyl 2-(1-ethyl-2-oxoquinolin-4-yl)sulfanylacetate
SMILESCCOC(=O)CSc1cc(=O)n(CC)c2ccccc12
InChIInChI=1S/C15H17NO3S/c1-3-16-12-8-6-5-7-11(12)13(9-14(16)17)20-10-15(18)19-4-2/h5-9H,3-4,10H2,1-2H3
InChIKeyFGVOZTIKCXEWCJ-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.68
Rot. Bonds5

About ethyl 2-(1-ethyl-2-oxoquinolin-4-yl)sulfanylacetate

ethyl 2-(1-ethyl-2-oxoquinolin-4-yl)sulfanylacetate (PubChem CID 6621092) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is ethyl 2-(1-ethyl-2-oxoquinolin-4-yl)sulfanylacetate.

Molecular Properties

Compound Nameethyl 2-(1-ethyl-2-oxoquinolin-4-yl)sulfanylacetate
PubChem CID6621092
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC Nameethyl 2-(1-ethyl-2-oxoquinolin-4-yl)sulfanylacetate
SMILESCCOC(=O)CSc1cc(=O)n(CC)c2ccccc12
InChIInChI=1S/C15H17NO3S/c1-3-16-12-8-6-5-7-11(12)13(9-14(16)17)20-10-15(18)19-4-2/h5-9H,3-4,10H2,1-2H3
InChIKeyFGVOZTIKCXEWCJ-UHFFFAOYSA-N
XLogP2.68
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-ethyl-2-oxoquinolin-4-yl)sulfanylacetate?
The IUPAC name of ethyl 2-(1-ethyl-2-oxoquinolin-4-yl)sulfanylacetate (CID 6621092) is ethyl 2-(1-ethyl-2-oxoquinolin-4-yl)sulfanylacetate.
What is the SMILES notation for ethyl 2-(1-ethyl-2-oxoquinolin-4-yl)sulfanylacetate?
The canonical SMILES for ethyl 2-(1-ethyl-2-oxoquinolin-4-yl)sulfanylacetate is CCOC(=O)CSc1cc(=O)n(CC)c2ccccc12.
What is the InChIKey of ethyl 2-(1-ethyl-2-oxoquinolin-4-yl)sulfanylacetate?
The InChIKey is FGVOZTIKCXEWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-3-16-12-8-6-5-7-11(12)13(9-14(16)17)20-10-15(18)19-4-2/h5-9H,3-4,10H2,1-2H3.
What are the key properties of ethyl 2-(1-ethyl-2-oxoquinolin-4-yl)sulfanylacetate?
ethyl 2-(1-ethyl-2-oxoquinolin-4-yl)sulfanylacetate has a molecular weight of 291.37 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-ethyl-2-oxoquinolin-4-yl)sulfanylacetate is sourced from PubChem (CID 6621092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).