4-(2-chloroacetyl)-1,3-dihydroquinoxalin-2-one

C10H9ClN2O2 — CID 3146206

IUPAC4-(2-chloroacetyl)-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)CCl)c2ccccc2N1
InChIInChI=1S/C10H9ClN2O2/c11-5-10(15)13-6-9(14)12-7-3-1-2-4-8(7)13/h1-4H,5-6H2,(H,12,14)
InChIKeyRNGJPXOEWSLROI-UHFFFAOYSA-N
MW224.65 g/mol
LogP1.21
Rot. Bonds1

About 4-(2-chloroacetyl)-1,3-dihydroquinoxalin-2-one

4-(2-chloroacetyl)-1,3-dihydroquinoxalin-2-one (PubChem CID 3146206) has the molecular formula C10H9ClN2O2 and a molecular weight of 224.65 g/mol. Its IUPAC name is 4-(2-chloroacetyl)-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-(2-chloroacetyl)-1,3-dihydroquinoxalin-2-one
PubChem CID3146206
Molecular FormulaC10H9ClN2O2
Molecular Weight224.65 g/mol
Exact Mass224.04
IUPAC Name4-(2-chloroacetyl)-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)CCl)c2ccccc2N1
InChIInChI=1S/C10H9ClN2O2/c11-5-10(15)13-6-9(14)12-7-3-1-2-4-8(7)13/h1-4H,5-6H2,(H,12,14)
InChIKeyRNGJPXOEWSLROI-UHFFFAOYSA-N
XLogP1.21
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.65
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 4-(2-chloroacetyl)-1,3-dihydroquinoxalin-2-one 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 4-(2-chloroacetyl)-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-(2-chloroacetyl)-1,3-dihydroquinoxalin-2-one (CID 3146206) is 4-(2-chloroacetyl)-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-(2-chloroacetyl)-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-(2-chloroacetyl)-1,3-dihydroquinoxalin-2-one is O=C1CN(C(=O)CCl)c2ccccc2N1.
What is the InChIKey of 4-(2-chloroacetyl)-1,3-dihydroquinoxalin-2-one?
The InChIKey is RNGJPXOEWSLROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O2/c11-5-10(15)13-6-9(14)12-7-3-1-2-4-8(7)13/h1-4H,5-6H2,(H,12,14).
What are the key properties of 4-(2-chloroacetyl)-1,3-dihydroquinoxalin-2-one?
4-(2-chloroacetyl)-1,3-dihydroquinoxalin-2-one has a molecular weight of 224.65 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloroacetyl)-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 3146206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).