2-(1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-(4-methyl-2-pyridinyl)acetamide

C18H17N3O2S — CID 3244018

IUPAC2-(1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-(4-methyl-2-pyridinyl)acetamide
SMILESCc1ccnc(NC(=O)CSc2cc(=O)n(C)c3ccccc23)c1
InChIInChI=1S/C18H17N3O2S/c1-12-7-8-19-16(9-12)20-17(22)11-24-15-10-18(23)21(2)14-6-4-3-5-13(14)15/h3-10H,11H2,1-2H3,(H,19,20,22)
InChIKeyDYHJRLGCTHXTDZ-UHFFFAOYSA-N
MW339.42 g/mol
LogP2.97
Rot. Bonds4

About 2-(1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-(4-methyl-2-pyridinyl)acetamide

2-(1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-(4-methyl-2-pyridinyl)acetamide (PubChem CID 3244018) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is 2-(1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-(4-methyl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-(4-methyl-2-pyridinyl)acetamide
PubChem CID3244018
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name2-(1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-(4-methyl-2-pyridinyl)acetamide
SMILESCc1ccnc(NC(=O)CSc2cc(=O)n(C)c3ccccc23)c1
InChIInChI=1S/C18H17N3O2S/c1-12-7-8-19-16(9-12)20-17(22)11-24-15-10-18(23)21(2)14-6-4-3-5-13(14)15/h3-10H,11H2,1-2H3,(H,19,20,22)
InChIKeyDYHJRLGCTHXTDZ-UHFFFAOYSA-N
XLogP2.97
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-((4-Oxo-3-phenyl-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)-N-(5-phenylpyridin-2-yl)acetamide
CID 71601111
2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(5-pyridin-3-yl-2-pyridinyl)acetamide
CID 71601251
2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(5-thiophen-2-yl-2-pyridinyl)acetamide
CID 71601389
1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-1-(4-methylpyridin-2-yl)-3-phenylurea
CID 912947
1-{[(4-Methylphenyl)thio]acetyl}-4-(2-pyridinyl)piperazine
CID 974706
1-benzyl-N-cyclohexyl-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxamide
CID 7620138
3-Methyl-2-(2-phenylethylamino)-6-pyridin-4-ylpyrimidin-4-one
CID 9882994
N-Cyclohexyl-1-butyl-1,8-naphthyridin-2(1H)-on-3-carboxamide
CID 44157661
N-(4-Methylcyclohexyl)-1-benzyl-1,8-naphthyridin-2(1H)-on-3-carboxamide
CID 44157744
2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(5-pyrimidin-5-yl-2-pyridinyl)acetamide
CID 71601252
2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(5-thiophen-3-yl-2-pyridinyl)acetamide
CID 71601255
1-(2-Methylphenyl)-3-pyridin-2-ylurea
CID 730415

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-(4-methyl-2-pyridinyl)acetamide?
The IUPAC name of 2-(1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-(4-methyl-2-pyridinyl)acetamide (CID 3244018) is 2-(1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-(4-methyl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-(1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-(4-methyl-2-pyridinyl)acetamide?
The canonical SMILES for 2-(1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-(4-methyl-2-pyridinyl)acetamide is Cc1ccnc(NC(=O)CSc2cc(=O)n(C)c3ccccc23)c1.
What is the InChIKey of 2-(1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-(4-methyl-2-pyridinyl)acetamide?
The InChIKey is DYHJRLGCTHXTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-12-7-8-19-16(9-12)20-17(22)11-24-15-10-18(23)21(2)14-6-4-3-5-13(14)15/h3-10H,11H2,1-2H3,(H,19,20,22).
What are the key properties of 2-(1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-(4-methyl-2-pyridinyl)acetamide?
2-(1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-(4-methyl-2-pyridinyl)acetamide has a molecular weight of 339.42 g/mol, XLogP of 2.97, 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-(4-methyl-2-pyridinyl)acetamide is sourced from PubChem (CID 3244018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).