[2-amino-2-oxo-1-(2-oxo-1H-quinolin-3-yl)ethyl] acetate

C13H12N2O4 — CID 70202517

IUPAC[2-amino-2-oxo-1-(2-oxo-1H-quinolin-3-yl)ethyl] acetate
SMILESCC(=O)OC(C(N)=O)c1cc2ccccc2[nH]c1=O
InChIInChI=1S/C13H12N2O4/c1-7(16)19-11(12(14)17)9-6-8-4-2-3-5-10(8)15-13(9)18/h2-6,11H,1H3,(H2,14,17)(H,15,18)
InChIKeyPEPMBHDOISVOCK-UHFFFAOYSA-N
MW260.25 g/mol
LogP0.62
Rot. Bonds3

About [2-amino-2-oxo-1-(2-oxo-1H-quinolin-3-yl)ethyl] acetate

[2-amino-2-oxo-1-(2-oxo-1H-quinolin-3-yl)ethyl] acetate (PubChem CID 70202517) has the molecular formula C13H12N2O4 and a molecular weight of 260.25 g/mol. Its IUPAC name is [2-amino-2-oxo-1-(2-oxo-1H-quinolin-3-yl)ethyl] acetate.

Molecular Properties

Compound Name[2-amino-2-oxo-1-(2-oxo-1H-quinolin-3-yl)ethyl] acetate
PubChem CID70202517
Molecular FormulaC13H12N2O4
Molecular Weight260.25 g/mol
Exact Mass260.08
IUPAC Name[2-amino-2-oxo-1-(2-oxo-1H-quinolin-3-yl)ethyl] acetate
SMILESCC(=O)OC(C(N)=O)c1cc2ccccc2[nH]c1=O
InChIInChI=1S/C13H12N2O4/c1-7(16)19-11(12(14)17)9-6-8-4-2-3-5-10(8)15-13(9)18/h2-6,11H,1H3,(H2,14,17)(H,15,18)
InChIKeyPEPMBHDOISVOCK-UHFFFAOYSA-N
XLogP0.62
TPSA102.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-amino-2-oxo-1-(2-oxo-1H-quinolin-3-yl)ethyl] acetate 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-amino-2-oxo-1-(2-oxo-1H-quinolin-3-yl)ethyl] acetate?
The IUPAC name of [2-amino-2-oxo-1-(2-oxo-1H-quinolin-3-yl)ethyl] acetate (CID 70202517) is [2-amino-2-oxo-1-(2-oxo-1H-quinolin-3-yl)ethyl] acetate.
What is the SMILES notation for [2-amino-2-oxo-1-(2-oxo-1H-quinolin-3-yl)ethyl] acetate?
The canonical SMILES for [2-amino-2-oxo-1-(2-oxo-1H-quinolin-3-yl)ethyl] acetate is CC(=O)OC(C(N)=O)c1cc2ccccc2[nH]c1=O.
What is the InChIKey of [2-amino-2-oxo-1-(2-oxo-1H-quinolin-3-yl)ethyl] acetate?
The InChIKey is PEPMBHDOISVOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4/c1-7(16)19-11(12(14)17)9-6-8-4-2-3-5-10(8)15-13(9)18/h2-6,11H,1H3,(H2,14,17)(H,15,18).
What are the key properties of [2-amino-2-oxo-1-(2-oxo-1H-quinolin-3-yl)ethyl] acetate?
[2-amino-2-oxo-1-(2-oxo-1H-quinolin-3-yl)ethyl] acetate has a molecular weight of 260.25 g/mol, XLogP of 0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-2-oxo-1-(2-oxo-1H-quinolin-3-yl)ethyl] acetate is sourced from PubChem (CID 70202517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).