2-(6-ethoxy-3-methylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C18H19N3O3S — CID 1176245

IUPAC2-(6-ethoxy-3-methylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCCOc1ccc2nc(SCC(=O)Nc3cc(C)on3)c(C)cc2c1
InChIInChI=1S/C18H19N3O3S/c1-4-23-14-5-6-15-13(9-14)7-11(2)18(19-15)25-10-17(22)20-16-8-12(3)24-21-16/h5-9H,4,10H2,1-3H3,(H,20,21,22)
InChIKeyWOKOMINKHAUSON-UHFFFAOYSA-N
MW357.44 g/mol
LogP3.97
Rot. Bonds6

About 2-(6-ethoxy-3-methylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-(6-ethoxy-3-methylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 1176245) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is 2-(6-ethoxy-3-methylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(6-ethoxy-3-methylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID1176245
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC Name2-(6-ethoxy-3-methylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCCOc1ccc2nc(SCC(=O)Nc3cc(C)on3)c(C)cc2c1
InChIInChI=1S/C18H19N3O3S/c1-4-23-14-5-6-15-13(9-14)7-11(2)18(19-15)25-10-17(22)20-16-8-12(3)24-21-16/h5-9H,4,10H2,1-3H3,(H,20,21,22)
InChIKeyWOKOMINKHAUSON-UHFFFAOYSA-N
XLogP3.97
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 ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(6-ethoxy-3-methylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-(6-ethoxy-3-methylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 1176245) is 2-(6-ethoxy-3-methylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-(6-ethoxy-3-methylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-(6-ethoxy-3-methylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is CCOc1ccc2nc(SCC(=O)Nc3cc(C)on3)c(C)cc2c1.
What is the InChIKey of 2-(6-ethoxy-3-methylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is WOKOMINKHAUSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-4-23-14-5-6-15-13(9-14)7-11(2)18(19-15)25-10-17(22)20-16-8-12(3)24-21-16/h5-9H,4,10H2,1-3H3,(H,20,21,22).
What are the key properties of 2-(6-ethoxy-3-methylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-(6-ethoxy-3-methylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 357.44 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethoxy-3-methylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 1176245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).