2-(3-ethyl-6,8-dimethylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C19H21N3O2S — CID 3208214

IUPAC2-(3-ethyl-6,8-dimethylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCCc1cc2cc(C)cc(C)c2nc1SCC(=O)Nc1cc(C)on1
InChIInChI=1S/C19H21N3O2S/c1-5-14-9-15-7-11(2)6-12(3)18(15)21-19(14)25-10-17(23)20-16-8-13(4)24-22-16/h6-9H,5,10H2,1-4H3,(H,20,22,23)
InChIKeyBAIRSVDRFRFLIM-UHFFFAOYSA-N
MW355.46 g/mol
LogP4.44
Rot. Bonds5

About 2-(3-ethyl-6,8-dimethylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-(3-ethyl-6,8-dimethylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 3208214) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is 2-(3-ethyl-6,8-dimethylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(3-ethyl-6,8-dimethylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID3208214
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name2-(3-ethyl-6,8-dimethylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCCc1cc2cc(C)cc(C)c2nc1SCC(=O)Nc1cc(C)on1
InChIInChI=1S/C19H21N3O2S/c1-5-14-9-15-7-11(2)6-12(3)18(15)21-19(14)25-10-17(23)20-16-8-13(4)24-22-16/h6-9H,5,10H2,1-4H3,(H,20,22,23)
InChIKeyBAIRSVDRFRFLIM-UHFFFAOYSA-N
XLogP4.44
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3-ethyl-6,8-dimethylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide with MolForge

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Related Compounds

N-(5-Methyl-isoxazol-3-yl)-2-(3,7,8-trimethyl-quinolin-2-ylsulfanyl)-acetamide
CID 857565
2-(3,7-Dimethyl-quinolin-2-ylsulfanyl)-N-(5-methyl-isoxazol-3-yl)-acetamide
CID 1176129
2-(3-Cyano-quinolin-2-ylsulfanyl)-N-(5-methyl-isoxazol-3-yl)-acetamide
CID 1433850
2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2216801
2-[2-(2-Cyclopentyl-ethyl)-quinazolin-4-ylsulfanyl]-N-(5-methyl-isoxazol-3-yl)-acetamide
CID 651643
N-(5-Methyl-isoxazol-3-yl)-2-(2-propyl-quinazolin-4-ylsulfanyl)-acetamide
CID 653552
2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 709545
2-(3-ethyl-8-methylquinolin-2-yl)sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 857460
N-(5-methyl-3-isoxazolyl)-2-[(2-propan-2-yl-4-quinazolinyl)thio]acetamide
CID 1442803
2-(3-Cyano-5,8-dimethyl-quinolin-2-ylsulfanyl)-N-(5-methyl-isoxazol-3-yl)-acetamide
CID 1450200
Acetamide,2-[(3-cyano-5,7-dimethyl-2-quinolinyl)thio]-N-(5-methyl-3-isoxazolyl)-
CID 1450291
N-(5-methyl-1,2-oxazol-3-yl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide
CID 2059829

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-6,8-dimethylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-(3-ethyl-6,8-dimethylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 3208214) is 2-(3-ethyl-6,8-dimethylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-(3-ethyl-6,8-dimethylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-(3-ethyl-6,8-dimethylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is CCc1cc2cc(C)cc(C)c2nc1SCC(=O)Nc1cc(C)on1.
What is the InChIKey of 2-(3-ethyl-6,8-dimethylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is BAIRSVDRFRFLIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-5-14-9-15-7-11(2)6-12(3)18(15)21-19(14)25-10-17(23)20-16-8-13(4)24-22-16/h6-9H,5,10H2,1-4H3,(H,20,22,23).
What are the key properties of 2-(3-ethyl-6,8-dimethylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-(3-ethyl-6,8-dimethylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 355.46 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-6,8-dimethylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 3208214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).