2-(3-cyano-8-methylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C17H14N4O2S — CID 855469

IUPAC2-(3-cyano-8-methylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CSc2nc3c(C)cccc3cc2C#N)no1
InChIInChI=1S/C17H14N4O2S/c1-10-4-3-5-12-7-13(8-18)17(20-16(10)12)24-9-15(22)19-14-6-11(2)23-21-14/h3-7H,9H2,1-2H3,(H,19,21,22)
InChIKeyTYPYMKANCJARFQ-UHFFFAOYSA-N
MW338.39 g/mol
LogP3.44
Rot. Bonds4

About 2-(3-cyano-8-methylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-(3-cyano-8-methylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 855469) has the molecular formula C17H14N4O2S and a molecular weight of 338.39 g/mol. Its IUPAC name is 2-(3-cyano-8-methylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(3-cyano-8-methylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID855469
Molecular FormulaC17H14N4O2S
Molecular Weight338.39 g/mol
Exact Mass338.08
IUPAC Name2-(3-cyano-8-methylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CSc2nc3c(C)cccc3cc2C#N)no1
InChIInChI=1S/C17H14N4O2S/c1-10-4-3-5-12-7-13(8-18)17(20-16(10)12)24-9-15(22)19-14-6-11(2)23-21-14/h3-7H,9H2,1-2H3,(H,19,21,22)
InChIKeyTYPYMKANCJARFQ-UHFFFAOYSA-N
XLogP3.44
TPSA91.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyano-8-methylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-(3-cyano-8-methylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 855469) is 2-(3-cyano-8-methylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-(3-cyano-8-methylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-(3-cyano-8-methylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(NC(=O)CSc2nc3c(C)cccc3cc2C#N)no1.
What is the InChIKey of 2-(3-cyano-8-methylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is TYPYMKANCJARFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2S/c1-10-4-3-5-12-7-13(8-18)17(20-16(10)12)24-9-15(22)19-14-6-11(2)23-21-14/h3-7H,9H2,1-2H3,(H,19,21,22).
What are the key properties of 2-(3-cyano-8-methylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-(3-cyano-8-methylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 338.39 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyano-8-methylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 855469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).