N-(2-azidoethyl)quinoxaline-2-carboxamide

C11H10N6O — CID 107356589

IUPACN-(2-azidoethyl)quinoxaline-2-carboxamide
SMILES[N-]=[N+]=NCCNC(=O)c1cnc2ccccc2n1
InChIInChI=1S/C11H10N6O/c12-17-15-6-5-13-11(18)10-7-14-8-3-1-2-4-9(8)16-10/h1-4,7H,5-6H2,(H,13,18)
InChIKeyDXIFDXFIWMYBNU-UHFFFAOYSA-N
MW242.24 g/mol
LogP1.67
Rot. Bonds4

About N-(2-azidoethyl)quinoxaline-2-carboxamide

N-(2-azidoethyl)quinoxaline-2-carboxamide (PubChem CID 107356589) has the molecular formula C11H10N6O and a molecular weight of 242.24 g/mol. Its IUPAC name is N-(2-azidoethyl)quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-(2-azidoethyl)quinoxaline-2-carboxamide
PubChem CID107356589
Molecular FormulaC11H10N6O
Molecular Weight242.24 g/mol
Exact Mass242.09
IUPAC NameN-(2-azidoethyl)quinoxaline-2-carboxamide
SMILES[N-]=[N+]=NCCNC(=O)c1cnc2ccccc2n1
InChIInChI=1S/C11H10N6O/c12-17-15-6-5-13-11(18)10-7-14-8-3-1-2-4-9(8)16-10/h1-4,7H,5-6H2,(H,13,18)
InChIKeyDXIFDXFIWMYBNU-UHFFFAOYSA-N
XLogP1.67
TPSA103.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze N-(2-azidoethyl)quinoxaline-2-carboxamide 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 N-(2-azidoethyl)quinoxaline-2-carboxamide?
The IUPAC name of N-(2-azidoethyl)quinoxaline-2-carboxamide (CID 107356589) is N-(2-azidoethyl)quinoxaline-2-carboxamide.
What is the SMILES notation for N-(2-azidoethyl)quinoxaline-2-carboxamide?
The canonical SMILES for N-(2-azidoethyl)quinoxaline-2-carboxamide is [N-]=[N+]=NCCNC(=O)c1cnc2ccccc2n1.
What is the InChIKey of N-(2-azidoethyl)quinoxaline-2-carboxamide?
The InChIKey is DXIFDXFIWMYBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6O/c12-17-15-6-5-13-11(18)10-7-14-8-3-1-2-4-9(8)16-10/h1-4,7H,5-6H2,(H,13,18).
What are the key properties of N-(2-azidoethyl)quinoxaline-2-carboxamide?
N-(2-azidoethyl)quinoxaline-2-carboxamide has a molecular weight of 242.24 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-azidoethyl)quinoxaline-2-carboxamide is sourced from PubChem (CID 107356589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).