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

C17H15N3O2S — CID 3242516

IUPAC2-(1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-pyridin-3-ylacetamide
SMILESCn1c(=O)cc(SCC(=O)Nc2cccnc2)c2ccccc21
InChIInChI=1S/C17H15N3O2S/c1-20-14-7-3-2-6-13(14)15(9-17(20)22)23-11-16(21)19-12-5-4-8-18-10-12/h2-10H,11H2,1H3,(H,19,21)
InChIKeyLTDHBZZBZXNWHA-UHFFFAOYSA-N
MW325.39 g/mol
LogP2.66
Rot. Bonds4

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

2-(1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-pyridin-3-ylacetamide (PubChem CID 3242516) has the molecular formula C17H15N3O2S and a molecular weight of 325.39 g/mol. Its IUPAC name is 2-(1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-(1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-pyridin-3-ylacetamide
PubChem CID3242516
Molecular FormulaC17H15N3O2S
Molecular Weight325.39 g/mol
Exact Mass325.09
IUPAC Name2-(1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-pyridin-3-ylacetamide
SMILESCn1c(=O)cc(SCC(=O)Nc2cccnc2)c2ccccc21
InChIInChI=1S/C17H15N3O2S/c1-20-14-7-3-2-6-13(14)15(9-17(20)22)23-11-16(21)19-12-5-4-8-18-10-12/h2-10H,11H2,1H3,(H,19,21)
InChIKeyLTDHBZZBZXNWHA-UHFFFAOYSA-N
XLogP2.66
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-pyridin-3-ylacetamide?
The IUPAC name of 2-(1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-pyridin-3-ylacetamide (CID 3242516) is 2-(1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-pyridin-3-ylacetamide.
What is the SMILES notation for 2-(1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-pyridin-3-ylacetamide?
The canonical SMILES for 2-(1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-pyridin-3-ylacetamide is Cn1c(=O)cc(SCC(=O)Nc2cccnc2)c2ccccc21.
What is the InChIKey of 2-(1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-pyridin-3-ylacetamide?
The InChIKey is LTDHBZZBZXNWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2S/c1-20-14-7-3-2-6-13(14)15(9-17(20)22)23-11-16(21)19-12-5-4-8-18-10-12/h2-10H,11H2,1H3,(H,19,21).
What are the key properties of 2-(1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-pyridin-3-ylacetamide?
2-(1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-pyridin-3-ylacetamide has a molecular weight of 325.39 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-pyridin-3-ylacetamide is sourced from PubChem (CID 3242516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).