2-(3-cyano-6-methoxyquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C17H14N4O3S — CID 1450417

IUPAC2-(3-cyano-6-methoxyquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCOc1ccc2nc(SCC(=O)Nc3cc(C)on3)c(C#N)cc2c1
InChIInChI=1S/C17H14N4O3S/c1-10-5-15(21-24-10)20-16(22)9-25-17-12(8-18)6-11-7-13(23-2)3-4-14(11)19-17/h3-7H,9H2,1-2H3,(H,20,21,22)
InChIKeyOUVNMYSYRAQAHR-UHFFFAOYSA-N
MW354.39 g/mol
LogP3.14
Rot. Bonds5

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

2-(3-cyano-6-methoxyquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 1450417) has the molecular formula C17H14N4O3S and a molecular weight of 354.39 g/mol. Its IUPAC name is 2-(3-cyano-6-methoxyquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(3-cyano-6-methoxyquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID1450417
Molecular FormulaC17H14N4O3S
Molecular Weight354.39 g/mol
Exact Mass354.08
IUPAC Name2-(3-cyano-6-methoxyquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCOc1ccc2nc(SCC(=O)Nc3cc(C)on3)c(C#N)cc2c1
InChIInChI=1S/C17H14N4O3S/c1-10-5-15(21-24-10)20-16(22)9-25-17-12(8-18)6-11-7-13(23-2)3-4-14(11)19-17/h3-7H,9H2,1-2H3,(H,20,21,22)
InChIKeyOUVNMYSYRAQAHR-UHFFFAOYSA-N
XLogP3.14
TPSA101.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(3-cyano-6-methoxyquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide with MolForge

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Related Compounds

2-(3-Cyano-quinolin-2-ylsulfanyl)-N-(5-methyl-isoxazol-3-yl)-acetamide
CID 1433850
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
2-(3-Ethyl-7-methoxy-quinolin-2-ylsulfanyl)-N-(5-methyl-isoxazol-3-yl)-acetamide
CID 650104
2-(3-Cyano-6,7-dimethoxy-quinolin-2-ylsulfanyl)-N-(5-methyl-isoxazol-3-yl)-acetamide
CID 24792485
2-(6-Ethoxy-3-methyl-quinolin-2-ylsulfanyl)-N-(5-methyl-isoxazol-3-yl)-acetamide
CID 1176245
2-(3-Cyano-6,8-dimethyl-quinolin-2-ylsulfanyl)-N-(5-methyl-isoxazol-3-yl)-acetamide
CID 3207800
2-(7-Ethyl-[1,3]dioxolo[4,5-g]quinolin-6-ylsulfanyl)-N-(5-methyl-isoxazol-3-yl)-acetamide
CID 646901
2-(3-Cyano-8-methyl-quinolin-2-ylsulfanyl)-N-(5-methyl-isoxazol-3-yl)-acetamide
CID 855469
2-[3-cyano-4-(4-methoxyphenyl)-6-phenylpyridin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 1005237
2-{[3-cyano-6-(4-methoxyphenyl)-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}-N-(5-methyl-3-isoxazolyl)acetamide
CID 3475263
2-{[3-cyano-6-phenyl-4-(3,4,5-trimethoxyphenyl)-2-pyridinyl]sulfanyl}-N-(5-methyl-3-isoxazolyl)acetamide
CID 1022329

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyano-6-methoxyquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-(3-cyano-6-methoxyquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 1450417) is 2-(3-cyano-6-methoxyquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-(3-cyano-6-methoxyquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-(3-cyano-6-methoxyquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is COc1ccc2nc(SCC(=O)Nc3cc(C)on3)c(C#N)cc2c1.
What is the InChIKey of 2-(3-cyano-6-methoxyquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is OUVNMYSYRAQAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O3S/c1-10-5-15(21-24-10)20-16(22)9-25-17-12(8-18)6-11-7-13(23-2)3-4-14(11)19-17/h3-7H,9H2,1-2H3,(H,20,21,22).
What are the key properties of 2-(3-cyano-6-methoxyquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-(3-cyano-6-methoxyquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 354.39 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyano-6-methoxyquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 1450417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).