2-(6-cyano-4-oxo-1H-quinolin-2-yl)acetamide

C12H9N3O2 — CID 25174758

IUPAC2-(6-cyano-4-oxo-1H-quinolin-2-yl)acetamide
SMILESN#Cc1ccc2[nH]c(CC(N)=O)cc(=O)c2c1
InChIInChI=1S/C12H9N3O2/c13-6-7-1-2-10-9(3-7)11(16)4-8(15-10)5-12(14)17/h1-4H,5H2,(H2,14,17)(H,15,16)
InChIKeyBUTSKXDYCPTIAV-UHFFFAOYSA-N
MW227.22 g/mol
LogP0.43
Rot. Bonds2

About 2-(6-cyano-4-oxo-1H-quinolin-2-yl)acetamide

2-(6-cyano-4-oxo-1H-quinolin-2-yl)acetamide (PubChem CID 25174758) has the molecular formula C12H9N3O2 and a molecular weight of 227.22 g/mol. Its IUPAC name is 2-(6-cyano-4-oxo-1H-quinolin-2-yl)acetamide.

Molecular Properties

Compound Name2-(6-cyano-4-oxo-1H-quinolin-2-yl)acetamide
PubChem CID25174758
Molecular FormulaC12H9N3O2
Molecular Weight227.22 g/mol
Exact Mass227.07
IUPAC Name2-(6-cyano-4-oxo-1H-quinolin-2-yl)acetamide
SMILESN#Cc1ccc2[nH]c(CC(N)=O)cc(=O)c2c1
InChIInChI=1S/C12H9N3O2/c13-6-7-1-2-10-9(3-7)11(16)4-8(15-10)5-12(14)17/h1-4H,5H2,(H2,14,17)(H,15,16)
InChIKeyBUTSKXDYCPTIAV-UHFFFAOYSA-N
XLogP0.43
TPSA99.74 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-cyano-4-oxo-1H-quinolin-2-yl)acetamide?
The IUPAC name of 2-(6-cyano-4-oxo-1H-quinolin-2-yl)acetamide (CID 25174758) is 2-(6-cyano-4-oxo-1H-quinolin-2-yl)acetamide.
What is the SMILES notation for 2-(6-cyano-4-oxo-1H-quinolin-2-yl)acetamide?
The canonical SMILES for 2-(6-cyano-4-oxo-1H-quinolin-2-yl)acetamide is N#Cc1ccc2[nH]c(CC(N)=O)cc(=O)c2c1.
What is the InChIKey of 2-(6-cyano-4-oxo-1H-quinolin-2-yl)acetamide?
The InChIKey is BUTSKXDYCPTIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O2/c13-6-7-1-2-10-9(3-7)11(16)4-8(15-10)5-12(14)17/h1-4H,5H2,(H2,14,17)(H,15,16).
What are the key properties of 2-(6-cyano-4-oxo-1H-quinolin-2-yl)acetamide?
2-(6-cyano-4-oxo-1H-quinolin-2-yl)acetamide has a molecular weight of 227.22 g/mol, XLogP of 0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-cyano-4-oxo-1H-quinolin-2-yl)acetamide is sourced from PubChem (CID 25174758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).