2-(3-cyano-7-methoxyquinolin-2-yl)sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide

C16H13N5O3S — CID 24792497

IUPAC2-(3-cyano-7-methoxyquinolin-2-yl)sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
SMILESCOc1ccc2cc(C#N)c(SCC(=O)Nc3nonc3C)nc2c1
InChIInChI=1S/C16H13N5O3S/c1-9-15(21-24-20-9)19-14(22)8-25-16-11(7-17)5-10-3-4-12(23-2)6-13(10)18-16/h3-6H,8H2,1-2H3,(H,19,21,22)
InChIKeyVWJKPNPTMRXKDP-UHFFFAOYSA-N
MW355.38 g/mol
LogP2.54
Rot. Bonds5

About 2-(3-cyano-7-methoxyquinolin-2-yl)sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide

2-(3-cyano-7-methoxyquinolin-2-yl)sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide (PubChem CID 24792497) has the molecular formula C16H13N5O3S and a molecular weight of 355.38 g/mol. Its IUPAC name is 2-(3-cyano-7-methoxyquinolin-2-yl)sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(3-cyano-7-methoxyquinolin-2-yl)sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
PubChem CID24792497
Molecular FormulaC16H13N5O3S
Molecular Weight355.38 g/mol
Exact Mass355.07
IUPAC Name2-(3-cyano-7-methoxyquinolin-2-yl)sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
SMILESCOc1ccc2cc(C#N)c(SCC(=O)Nc3nonc3C)nc2c1
InChIInChI=1S/C16H13N5O3S/c1-9-15(21-24-20-9)19-14(22)8-25-16-11(7-17)5-10-3-4-12(23-2)6-13(10)18-16/h3-6H,8H2,1-2H3,(H,19,21,22)
InChIKeyVWJKPNPTMRXKDP-UHFFFAOYSA-N
XLogP2.54
TPSA113.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.38
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyano-7-methoxyquinolin-2-yl)sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
The IUPAC name of 2-(3-cyano-7-methoxyquinolin-2-yl)sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide (CID 24792497) is 2-(3-cyano-7-methoxyquinolin-2-yl)sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide.
What is the SMILES notation for 2-(3-cyano-7-methoxyquinolin-2-yl)sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
The canonical SMILES for 2-(3-cyano-7-methoxyquinolin-2-yl)sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide is COc1ccc2cc(C#N)c(SCC(=O)Nc3nonc3C)nc2c1.
What is the InChIKey of 2-(3-cyano-7-methoxyquinolin-2-yl)sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
The InChIKey is VWJKPNPTMRXKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O3S/c1-9-15(21-24-20-9)19-14(22)8-25-16-11(7-17)5-10-3-4-12(23-2)6-13(10)18-16/h3-6H,8H2,1-2H3,(H,19,21,22).
What are the key properties of 2-(3-cyano-7-methoxyquinolin-2-yl)sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
2-(3-cyano-7-methoxyquinolin-2-yl)sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide has a molecular weight of 355.38 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyano-7-methoxyquinolin-2-yl)sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide is sourced from PubChem (CID 24792497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).