2-(1-ethyl-2-oxoquinolin-4-yl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide

C19H19N3O2S — CID 3244915

IUPAC2-(1-ethyl-2-oxoquinolin-4-yl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide
SMILESCCn1c(=O)cc(SCC(=O)NCc2ccccn2)c2ccccc21
InChIInChI=1S/C19H19N3O2S/c1-2-22-16-9-4-3-8-15(16)17(11-19(22)24)25-13-18(23)21-12-14-7-5-6-10-20-14/h3-11H,2,12-13H2,1H3,(H,21,23)
InChIKeyRMOXRZZJDRBAOF-UHFFFAOYSA-N
MW353.45 g/mol
LogP2.82
Rot. Bonds6

About 2-(1-ethyl-2-oxoquinolin-4-yl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide

2-(1-ethyl-2-oxoquinolin-4-yl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 3244915) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is 2-(1-ethyl-2-oxoquinolin-4-yl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(1-ethyl-2-oxoquinolin-4-yl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide
PubChem CID3244915
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Name2-(1-ethyl-2-oxoquinolin-4-yl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide
SMILESCCn1c(=O)cc(SCC(=O)NCc2ccccn2)c2ccccc21
InChIInChI=1S/C19H19N3O2S/c1-2-22-16-9-4-3-8-15(16)17(11-19(22)24)25-13-18(23)21-12-14-7-5-6-10-20-14/h3-11H,2,12-13H2,1H3,(H,21,23)
InChIKeyRMOXRZZJDRBAOF-UHFFFAOYSA-N
XLogP2.82
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-ethyl-2-oxoquinolin-4-yl)sulfanyl-N-(2-fluorophenyl)acetamide
CID 20864344
2-(2-fluorophenyl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide
CID 47005105
2-(1-ethyl-2-oxoquinolin-4-yl)sulfanyl-N-(3-morpholin-4-ylpropyl)acetamide
CID 22334549
2-ethylsulfanyl-N-(pyridin-2-ylmethyl)acetamide
CID 19005858
2-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)-N-(pyridin-2-ylmethyl)acetamide
CID 75489429
N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]propanamide
CID 47412168
1-ethyl-2,3-dimethyl-N-(pyridin-2-ylmethyl)indole-5-carboxamide
CID 35524105
4-hydroxy-1-(2-methylpropyl)-2-oxo-N-(pyridin-2-ylmethyl)quinoline-3-carboxamide
CID 54695771
2-[(2R)-2-hydroxy-2-phenylethyl]sulfanyl-N-(pyridin-2-ylmethyl)acetamide
CID 95329156
2-(3-methylindazol-1-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 22509815
1-ethyl-4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]sulfanylquinolin-2-one
CID 20864364
4-hydroxy-N-(pyridin-2-ylmethyl)pentanamide
CID 79016708

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-2-oxoquinolin-4-yl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-(1-ethyl-2-oxoquinolin-4-yl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide (CID 3244915) is 2-(1-ethyl-2-oxoquinolin-4-yl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(1-ethyl-2-oxoquinolin-4-yl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-(1-ethyl-2-oxoquinolin-4-yl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide is CCn1c(=O)cc(SCC(=O)NCc2ccccn2)c2ccccc21.
What is the InChIKey of 2-(1-ethyl-2-oxoquinolin-4-yl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is RMOXRZZJDRBAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-2-22-16-9-4-3-8-15(16)17(11-19(22)24)25-13-18(23)21-12-14-7-5-6-10-20-14/h3-11H,2,12-13H2,1H3,(H,21,23).
What are the key properties of 2-(1-ethyl-2-oxoquinolin-4-yl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide?
2-(1-ethyl-2-oxoquinolin-4-yl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 353.45 g/mol, XLogP of 2.82, 6 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-2-ylmethyl)acetamide is sourced from PubChem (CID 3244915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).