2-amino-1-(3-imidazol-1-ylpropyl)-N-(2-methoxyethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide

C20H23N7O2 — CID 666332

IUPAC2-amino-1-(3-imidazol-1-ylpropyl)-N-(2-methoxyethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
SMILESCOCCNC(=O)c1c(N)n(CCCn2ccnc2)c2nc3ccccc3nc12
InChIInChI=1S/C20H23N7O2/c1-29-12-8-23-20(28)16-17-19(25-15-6-3-2-5-14(15)24-17)27(18(16)21)10-4-9-26-11-7-22-13-26/h2-3,5-7,11,13H,4,8-10,12,21H2,1H3,(H,23,28)
InChIKeyWOLGJFGVGSWRLT-UHFFFAOYSA-N
MW393.45 g/mol
LogP1.83
Rot. Bonds8

About 2-amino-1-(3-imidazol-1-ylpropyl)-N-(2-methoxyethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide

2-amino-1-(3-imidazol-1-ylpropyl)-N-(2-methoxyethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide (PubChem CID 666332) has the molecular formula C20H23N7O2 and a molecular weight of 393.45 g/mol. Its IUPAC name is 2-amino-1-(3-imidazol-1-ylpropyl)-N-(2-methoxyethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide.

Molecular Properties

Compound Name2-amino-1-(3-imidazol-1-ylpropyl)-N-(2-methoxyethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
PubChem CID666332
Molecular FormulaC20H23N7O2
Molecular Weight393.45 g/mol
Exact Mass393.19
IUPAC Name2-amino-1-(3-imidazol-1-ylpropyl)-N-(2-methoxyethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
SMILESCOCCNC(=O)c1c(N)n(CCCn2ccnc2)c2nc3ccccc3nc12
InChIInChI=1S/C20H23N7O2/c1-29-12-8-23-20(28)16-17-19(25-15-6-3-2-5-14(15)24-17)27(18(16)21)10-4-9-26-11-7-22-13-26/h2-3,5-7,11,13H,4,8-10,12,21H2,1H3,(H,23,28)
InChIKeyWOLGJFGVGSWRLT-UHFFFAOYSA-N
XLogP1.83
TPSA112.88 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-amino-1-(3-imidazol-1-ylpropyl)-N-(2-methoxyethyl)pyrrolo[3,2-b]quinoxaline-3-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 2-amino-1-(3-imidazol-1-ylpropyl)-N-(2-methoxyethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide?
The IUPAC name of 2-amino-1-(3-imidazol-1-ylpropyl)-N-(2-methoxyethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide (CID 666332) is 2-amino-1-(3-imidazol-1-ylpropyl)-N-(2-methoxyethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide.
What is the SMILES notation for 2-amino-1-(3-imidazol-1-ylpropyl)-N-(2-methoxyethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide?
The canonical SMILES for 2-amino-1-(3-imidazol-1-ylpropyl)-N-(2-methoxyethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide is COCCNC(=O)c1c(N)n(CCCn2ccnc2)c2nc3ccccc3nc12.
What is the InChIKey of 2-amino-1-(3-imidazol-1-ylpropyl)-N-(2-methoxyethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide?
The InChIKey is WOLGJFGVGSWRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O2/c1-29-12-8-23-20(28)16-17-19(25-15-6-3-2-5-14(15)24-17)27(18(16)21)10-4-9-26-11-7-22-13-26/h2-3,5-7,11,13H,4,8-10,12,21H2,1H3,(H,23,28).
What are the key properties of 2-amino-1-(3-imidazol-1-ylpropyl)-N-(2-methoxyethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide?
2-amino-1-(3-imidazol-1-ylpropyl)-N-(2-methoxyethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide has a molecular weight of 393.45 g/mol, XLogP of 1.83, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-imidazol-1-ylpropyl)-N-(2-methoxyethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide is sourced from PubChem (CID 666332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).