2-(6-cyano-2-oxoquinolin-1-yl)acetic acid

C12H8N2O3 — CID 68786009

IUPAC2-(6-cyano-2-oxoquinolin-1-yl)acetic acid
SMILESN#Cc1ccc2c(ccc(=O)n2CC(=O)O)c1
InChIInChI=1S/C12H8N2O3/c13-6-8-1-3-10-9(5-8)2-4-11(15)14(10)7-12(16)17/h1-5H,7H2,(H,16,17)
InChIKeyUYJCJOCJDQJJMC-UHFFFAOYSA-N
MW228.21 g/mol
LogP0.96
Rot. Bonds2

About 2-(6-cyano-2-oxoquinolin-1-yl)acetic acid

2-(6-cyano-2-oxoquinolin-1-yl)acetic acid (PubChem CID 68786009) has the molecular formula C12H8N2O3 and a molecular weight of 228.21 g/mol. Its IUPAC name is 2-(6-cyano-2-oxoquinolin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(6-cyano-2-oxoquinolin-1-yl)acetic acid
PubChem CID68786009
Molecular FormulaC12H8N2O3
Molecular Weight228.21 g/mol
Exact Mass228.05
IUPAC Name2-(6-cyano-2-oxoquinolin-1-yl)acetic acid
SMILESN#Cc1ccc2c(ccc(=O)n2CC(=O)O)c1
InChIInChI=1S/C12H8N2O3/c13-6-8-1-3-10-9(5-8)2-4-11(15)14(10)7-12(16)17/h1-5H,7H2,(H,16,17)
InChIKeyUYJCJOCJDQJJMC-UHFFFAOYSA-N
XLogP0.96
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(6-cyano-2-oxoquinolin-1-yl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(6-cyano-2-oxoquinolin-1-yl)acetic acid?
The IUPAC name of 2-(6-cyano-2-oxoquinolin-1-yl)acetic acid (CID 68786009) is 2-(6-cyano-2-oxoquinolin-1-yl)acetic acid.
What is the SMILES notation for 2-(6-cyano-2-oxoquinolin-1-yl)acetic acid?
The canonical SMILES for 2-(6-cyano-2-oxoquinolin-1-yl)acetic acid is N#Cc1ccc2c(ccc(=O)n2CC(=O)O)c1.
What is the InChIKey of 2-(6-cyano-2-oxoquinolin-1-yl)acetic acid?
The InChIKey is UYJCJOCJDQJJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O3/c13-6-8-1-3-10-9(5-8)2-4-11(15)14(10)7-12(16)17/h1-5H,7H2,(H,16,17).
What are the key properties of 2-(6-cyano-2-oxoquinolin-1-yl)acetic acid?
2-(6-cyano-2-oxoquinolin-1-yl)acetic acid has a molecular weight of 228.21 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-cyano-2-oxoquinolin-1-yl)acetic acid is sourced from PubChem (CID 68786009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).