2-(3-ethyl-7-methoxyquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C18H19N3O3S — CID 650104

IUPAC2-(3-ethyl-7-methoxyquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCCc1cc2ccc(OC)cc2nc1SCC(=O)Nc1cc(C)on1
InChIInChI=1S/C18H19N3O3S/c1-4-12-8-13-5-6-14(23-3)9-15(13)19-18(12)25-10-17(22)20-16-7-11(2)24-21-16/h5-9H,4,10H2,1-3H3,(H,20,21,22)
InChIKeyHPILOPASTLEWIC-UHFFFAOYSA-N
MW357.44 g/mol
LogP3.83
Rot. Bonds6

About 2-(3-ethyl-7-methoxyquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-(3-ethyl-7-methoxyquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 650104) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is 2-(3-ethyl-7-methoxyquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(3-ethyl-7-methoxyquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID650104
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC Name2-(3-ethyl-7-methoxyquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCCc1cc2ccc(OC)cc2nc1SCC(=O)Nc1cc(C)on1
InChIInChI=1S/C18H19N3O3S/c1-4-12-8-13-5-6-14(23-3)9-15(13)19-18(12)25-10-17(22)20-16-7-11(2)24-21-16/h5-9H,4,10H2,1-3H3,(H,20,21,22)
InChIKeyHPILOPASTLEWIC-UHFFFAOYSA-N
XLogP3.83
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(3-ethyl-7-methoxyquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide with MolForge

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Related Compounds

2-(3,7-Dimethyl-quinolin-2-ylsulfanyl)-N-(5-methyl-isoxazol-3-yl)-acetamide
CID 1176129
2-(3-Cyano-7-methoxy-quinolin-2-ylsulfanyl)-N-(4-methyl-furazan-3-yl)-acetamide
CID 24792497
2-(7-Methoxy-3-methyl-quinolin-2-ylsulfanyl)-N-(5-methyl-isoxazol-3-yl)-acetamide
CID 648080
3-[4-(4-Methoxy-phenyl)-6-trifluoromethyl-pyrimidin-2-ylsulfanyl]-N-(5-methyl-isoxazol-3-yl)-propionamide
CID 652820
2-[(3-Cyano-6-methoxy-2-quinolinyl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 1450417
N-carbamoyl-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylacetamide
CID 2588947
2-(3-Ethyl-6-methyl-quinolin-2-ylsulfanyl)-N-(5-methyl-isoxazol-3-yl)-acetamide
CID 3208003
2-[(7-Methoxy-4-methylquinolin-2-YL)sulfanyl]-N-[5-(2-methylphenyl)-1,2,4-thiadiazol-3-YL]acetamide
CID 15991368
2-(3-Cyano-6,7-dimethoxy-quinolin-2-ylsulfanyl)-N-(5-methyl-isoxazol-3-yl)-acetamide
CID 24792485
2-(3,8-Dimethyl-quinolin-2-ylsulfanyl)-N-(5-methyl-isoxazol-3-yl)-acetamide
CID 24792686
2-(6-Ethoxy-3-methyl-quinolin-2-ylsulfanyl)-N-(5-methyl-isoxazol-3-yl)-acetamide
CID 1176245
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 2430340

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-7-methoxyquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-(3-ethyl-7-methoxyquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 650104) is 2-(3-ethyl-7-methoxyquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-(3-ethyl-7-methoxyquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-(3-ethyl-7-methoxyquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is CCc1cc2ccc(OC)cc2nc1SCC(=O)Nc1cc(C)on1.
What is the InChIKey of 2-(3-ethyl-7-methoxyquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is HPILOPASTLEWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-4-12-8-13-5-6-14(23-3)9-15(13)19-18(12)25-10-17(22)20-16-7-11(2)24-21-16/h5-9H,4,10H2,1-3H3,(H,20,21,22).
What are the key properties of 2-(3-ethyl-7-methoxyquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-(3-ethyl-7-methoxyquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 357.44 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-7-methoxyquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 650104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).