3-(4-aminophenyl)quinoxaline-5-carboxamide

C15H12N4O — CID 25218519

IUPAC3-(4-aminophenyl)quinoxaline-5-carboxamide
SMILESNC(=O)c1cccc2ncc(-c3ccc(N)cc3)nc12
InChIInChI=1S/C15H12N4O/c16-10-6-4-9(5-7-10)13-8-18-12-3-1-2-11(15(17)20)14(12)19-13/h1-8H,16H2,(H2,17,20)
InChIKeyJCXJUCVUESBKLT-UHFFFAOYSA-N
MW264.29 g/mol
LogP1.98
Rot. Bonds2

About 3-(4-aminophenyl)quinoxaline-5-carboxamide

3-(4-aminophenyl)quinoxaline-5-carboxamide (PubChem CID 25218519) has the molecular formula C15H12N4O and a molecular weight of 264.29 g/mol. Its IUPAC name is 3-(4-aminophenyl)quinoxaline-5-carboxamide.

Molecular Properties

Compound Name3-(4-aminophenyl)quinoxaline-5-carboxamide
PubChem CID25218519
Molecular FormulaC15H12N4O
Molecular Weight264.29 g/mol
Exact Mass264.10
IUPAC Name3-(4-aminophenyl)quinoxaline-5-carboxamide
SMILESNC(=O)c1cccc2ncc(-c3ccc(N)cc3)nc12
InChIInChI=1S/C15H12N4O/c16-10-6-4-9(5-7-10)13-8-18-12-3-1-2-11(15(17)20)14(12)19-13/h1-8H,16H2,(H2,17,20)
InChIKeyJCXJUCVUESBKLT-UHFFFAOYSA-N
XLogP1.98
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(4-aminophenyl)quinoxaline-5-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 3-(4-aminophenyl)quinoxaline-5-carboxamide?
The IUPAC name of 3-(4-aminophenyl)quinoxaline-5-carboxamide (CID 25218519) is 3-(4-aminophenyl)quinoxaline-5-carboxamide.
What is the SMILES notation for 3-(4-aminophenyl)quinoxaline-5-carboxamide?
The canonical SMILES for 3-(4-aminophenyl)quinoxaline-5-carboxamide is NC(=O)c1cccc2ncc(-c3ccc(N)cc3)nc12.
What is the InChIKey of 3-(4-aminophenyl)quinoxaline-5-carboxamide?
The InChIKey is JCXJUCVUESBKLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O/c16-10-6-4-9(5-7-10)13-8-18-12-3-1-2-11(15(17)20)14(12)19-13/h1-8H,16H2,(H2,17,20).
What are the key properties of 3-(4-aminophenyl)quinoxaline-5-carboxamide?
3-(4-aminophenyl)quinoxaline-5-carboxamide has a molecular weight of 264.29 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)quinoxaline-5-carboxamide is sourced from PubChem (CID 25218519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).