2-(1-ethyl-2-oxoquinolin-4-yl)sulfanyl-N-pyridin-3-ylacetamide

C18H17N3O2S — CID 3245788

IUPAC2-(1-ethyl-2-oxoquinolin-4-yl)sulfanyl-N-pyridin-3-ylacetamide
SMILESCCn1c(=O)cc(SCC(=O)Nc2cccnc2)c2ccccc21
InChIInChI=1S/C18H17N3O2S/c1-2-21-15-8-4-3-7-14(15)16(10-18(21)23)24-12-17(22)20-13-6-5-9-19-11-13/h3-11H,2,12H2,1H3,(H,20,22)
InChIKeySMIZIHBUBFAXDO-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.15
Rot. Bonds5

About 2-(1-ethyl-2-oxoquinolin-4-yl)sulfanyl-N-pyridin-3-ylacetamide

2-(1-ethyl-2-oxoquinolin-4-yl)sulfanyl-N-pyridin-3-ylacetamide (PubChem CID 3245788) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is 2-(1-ethyl-2-oxoquinolin-4-yl)sulfanyl-N-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-(1-ethyl-2-oxoquinolin-4-yl)sulfanyl-N-pyridin-3-ylacetamide
PubChem CID3245788
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name2-(1-ethyl-2-oxoquinolin-4-yl)sulfanyl-N-pyridin-3-ylacetamide
SMILESCCn1c(=O)cc(SCC(=O)Nc2cccnc2)c2ccccc21
InChIInChI=1S/C18H17N3O2S/c1-2-21-15-8-4-3-7-14(15)16(10-18(21)23)24-12-17(22)20-13-6-5-9-19-11-13/h3-11H,2,12H2,1H3,(H,20,22)
InChIKeySMIZIHBUBFAXDO-UHFFFAOYSA-N
XLogP3.15
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-2-oxoquinolin-4-yl)sulfanyl-N-pyridin-3-ylacetamide?
The IUPAC name of 2-(1-ethyl-2-oxoquinolin-4-yl)sulfanyl-N-pyridin-3-ylacetamide (CID 3245788) is 2-(1-ethyl-2-oxoquinolin-4-yl)sulfanyl-N-pyridin-3-ylacetamide.
What is the SMILES notation for 2-(1-ethyl-2-oxoquinolin-4-yl)sulfanyl-N-pyridin-3-ylacetamide?
The canonical SMILES for 2-(1-ethyl-2-oxoquinolin-4-yl)sulfanyl-N-pyridin-3-ylacetamide is CCn1c(=O)cc(SCC(=O)Nc2cccnc2)c2ccccc21.
What is the InChIKey of 2-(1-ethyl-2-oxoquinolin-4-yl)sulfanyl-N-pyridin-3-ylacetamide?
The InChIKey is SMIZIHBUBFAXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-2-21-15-8-4-3-7-14(15)16(10-18(21)23)24-12-17(22)20-13-6-5-9-19-11-13/h3-11H,2,12H2,1H3,(H,20,22).
What are the key properties of 2-(1-ethyl-2-oxoquinolin-4-yl)sulfanyl-N-pyridin-3-ylacetamide?
2-(1-ethyl-2-oxoquinolin-4-yl)sulfanyl-N-pyridin-3-ylacetamide has a molecular weight of 339.42 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-2-oxoquinolin-4-yl)sulfanyl-N-pyridin-3-ylacetamide is sourced from PubChem (CID 3245788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).