N-(3-imidazol-1-ylpropyl)quinoxaline-6-carboxamide

C15H15N5O — CID 2981563

IUPACN-(3-imidazol-1-ylpropyl)quinoxaline-6-carboxamide
SMILESO=C(NCCCn1ccnc1)c1ccc2nccnc2c1
InChIInChI=1S/C15H15N5O/c21-15(19-4-1-8-20-9-7-16-11-20)12-2-3-13-14(10-12)18-6-5-17-13/h2-3,5-7,9-11H,1,4,8H2,(H,19,21)
InChIKeyJWICRJWTZKXHEN-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.65
Rot. Bonds5

About N-(3-imidazol-1-ylpropyl)quinoxaline-6-carboxamide

N-(3-imidazol-1-ylpropyl)quinoxaline-6-carboxamide (PubChem CID 2981563) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)quinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)quinoxaline-6-carboxamide
PubChem CID2981563
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC NameN-(3-imidazol-1-ylpropyl)quinoxaline-6-carboxamide
SMILESO=C(NCCCn1ccnc1)c1ccc2nccnc2c1
InChIInChI=1S/C15H15N5O/c21-15(19-4-1-8-20-9-7-16-11-20)12-2-3-13-14(10-12)18-6-5-17-13/h2-3,5-7,9-11H,1,4,8H2,(H,19,21)
InChIKeyJWICRJWTZKXHEN-UHFFFAOYSA-N
XLogP1.65
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(3-imidazol-1-ylpropyl)quinoxaline-6-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-(3-imidazol-1-ylpropyl)quinoxaline-6-carboxamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)quinoxaline-6-carboxamide (CID 2981563) is N-(3-imidazol-1-ylpropyl)quinoxaline-6-carboxamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)quinoxaline-6-carboxamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)quinoxaline-6-carboxamide is O=C(NCCCn1ccnc1)c1ccc2nccnc2c1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)quinoxaline-6-carboxamide?
The InChIKey is JWICRJWTZKXHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c21-15(19-4-1-8-20-9-7-16-11-20)12-2-3-13-14(10-12)18-6-5-17-13/h2-3,5-7,9-11H,1,4,8H2,(H,19,21).
What are the key properties of N-(3-imidazol-1-ylpropyl)quinoxaline-6-carboxamide?
N-(3-imidazol-1-ylpropyl)quinoxaline-6-carboxamide has a molecular weight of 281.32 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)quinoxaline-6-carboxamide is sourced from PubChem (CID 2981563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).