2-(3-cyano-6,7-dimethoxyquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C18H16N4O4S — CID 24792485

IUPAC2-(3-cyano-6,7-dimethoxyquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCOc1cc2cc(C#N)c(SCC(=O)Nc3cc(C)on3)nc2cc1OC
InChIInChI=1S/C18H16N4O4S/c1-10-4-16(22-26-10)21-17(23)9-27-18-12(8-19)5-11-6-14(24-2)15(25-3)7-13(11)20-18/h4-7H,9H2,1-3H3,(H,21,22,23)
InChIKeyNVBXIJDZNBHAQO-UHFFFAOYSA-N
MW384.42 g/mol
LogP3.15
Rot. Bonds6

About 2-(3-cyano-6,7-dimethoxyquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-(3-cyano-6,7-dimethoxyquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 24792485) has the molecular formula C18H16N4O4S and a molecular weight of 384.42 g/mol. Its IUPAC name is 2-(3-cyano-6,7-dimethoxyquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(3-cyano-6,7-dimethoxyquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID24792485
Molecular FormulaC18H16N4O4S
Molecular Weight384.42 g/mol
Exact Mass384.09
IUPAC Name2-(3-cyano-6,7-dimethoxyquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCOc1cc2cc(C#N)c(SCC(=O)Nc3cc(C)on3)nc2cc1OC
InChIInChI=1S/C18H16N4O4S/c1-10-4-16(22-26-10)21-17(23)9-27-18-12(8-19)5-11-6-14(24-2)15(25-3)7-13(11)20-18/h4-7H,9H2,1-3H3,(H,21,22,23)
InChIKeyNVBXIJDZNBHAQO-UHFFFAOYSA-N
XLogP3.15
TPSA110.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.42
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyano-6,7-dimethoxyquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-(3-cyano-6,7-dimethoxyquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 24792485) is 2-(3-cyano-6,7-dimethoxyquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-(3-cyano-6,7-dimethoxyquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-(3-cyano-6,7-dimethoxyquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is COc1cc2cc(C#N)c(SCC(=O)Nc3cc(C)on3)nc2cc1OC.
What is the InChIKey of 2-(3-cyano-6,7-dimethoxyquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is NVBXIJDZNBHAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O4S/c1-10-4-16(22-26-10)21-17(23)9-27-18-12(8-19)5-11-6-14(24-2)15(25-3)7-13(11)20-18/h4-7H,9H2,1-3H3,(H,21,22,23).
What are the key properties of 2-(3-cyano-6,7-dimethoxyquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-(3-cyano-6,7-dimethoxyquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 384.42 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyano-6,7-dimethoxyquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 24792485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).