N'-pyrrolo[1,2-a]quinoxalin-4-yl-N-[2-(pyrrolo[1,2-a]quinoxalin-4-ylamino)ethyl]ethane-1,2-diamine

C26H25N7 — CID 70688661

IUPACN'-pyrrolo[1,2-a]quinoxalin-4-yl-N-[2-(pyrrolo[1,2-a]quinoxalin-4-ylamino)ethyl]ethane-1,2-diamine
SMILESc1ccc2c(c1)nc(NCCNCCNc1nc3ccccc3n3cccc13)c1cccn12
InChIInChI=1S/C26H25N7/c1-3-9-21-19(7-1)30-25(23-11-5-17-32(21)23)28-15-13-27-14-16-29-26-24-12-6-18-33(24)22-10-4-2-8-20(22)31-26/h1-12,17-18,27H,13-16H2,(H,28,30)(H,29,31)
InChIKeyYQEHTJNWHUTKFM-UHFFFAOYSA-N
MW435.53 g/mol
LogP4.40
Rot. Bonds8

About N'-pyrrolo[1,2-a]quinoxalin-4-yl-N-[2-(pyrrolo[1,2-a]quinoxalin-4-ylamino)ethyl]ethane-1,2-diamine

N'-pyrrolo[1,2-a]quinoxalin-4-yl-N-[2-(pyrrolo[1,2-a]quinoxalin-4-ylamino)ethyl]ethane-1,2-diamine (PubChem CID 70688661) has the molecular formula C26H25N7 and a molecular weight of 435.53 g/mol. Its IUPAC name is N'-pyrrolo[1,2-a]quinoxalin-4-yl-N-[2-(pyrrolo[1,2-a]quinoxalin-4-ylamino)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-pyrrolo[1,2-a]quinoxalin-4-yl-N-[2-(pyrrolo[1,2-a]quinoxalin-4-ylamino)ethyl]ethane-1,2-diamine
PubChem CID70688661
Molecular FormulaC26H25N7
Molecular Weight435.53 g/mol
Exact Mass435.22
IUPAC NameN'-pyrrolo[1,2-a]quinoxalin-4-yl-N-[2-(pyrrolo[1,2-a]quinoxalin-4-ylamino)ethyl]ethane-1,2-diamine
SMILESc1ccc2c(c1)nc(NCCNCCNc1nc3ccccc3n3cccc13)c1cccn12
InChIInChI=1S/C26H25N7/c1-3-9-21-19(7-1)30-25(23-11-5-17-32(21)23)28-15-13-27-14-16-29-26-24-12-6-18-33(24)22-10-4-2-8-20(22)31-26/h1-12,17-18,27H,13-16H2,(H,28,30)(H,29,31)
InChIKeyYQEHTJNWHUTKFM-UHFFFAOYSA-N
XLogP4.40
TPSA70.69 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 54.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N'-pyrrolo[1,2-a]quinoxalin-4-yl-N-[2-(pyrrolo[1,2-a]quinoxalin-4-ylamino)ethyl]ethane-1,2-diamine 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'-pyrrolo[1,2-a]quinoxalin-4-yl-N-[2-(pyrrolo[1,2-a]quinoxalin-4-ylamino)ethyl]ethane-1,2-diamine?
The IUPAC name of N'-pyrrolo[1,2-a]quinoxalin-4-yl-N-[2-(pyrrolo[1,2-a]quinoxalin-4-ylamino)ethyl]ethane-1,2-diamine (CID 70688661) is N'-pyrrolo[1,2-a]quinoxalin-4-yl-N-[2-(pyrrolo[1,2-a]quinoxalin-4-ylamino)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-pyrrolo[1,2-a]quinoxalin-4-yl-N-[2-(pyrrolo[1,2-a]quinoxalin-4-ylamino)ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-pyrrolo[1,2-a]quinoxalin-4-yl-N-[2-(pyrrolo[1,2-a]quinoxalin-4-ylamino)ethyl]ethane-1,2-diamine is c1ccc2c(c1)nc(NCCNCCNc1nc3ccccc3n3cccc13)c1cccn12.
What is the InChIKey of N'-pyrrolo[1,2-a]quinoxalin-4-yl-N-[2-(pyrrolo[1,2-a]quinoxalin-4-ylamino)ethyl]ethane-1,2-diamine?
The InChIKey is YQEHTJNWHUTKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N7/c1-3-9-21-19(7-1)30-25(23-11-5-17-32(21)23)28-15-13-27-14-16-29-26-24-12-6-18-33(24)22-10-4-2-8-20(22)31-26/h1-12,17-18,27H,13-16H2,(H,28,30)(H,29,31).
What are the key properties of N'-pyrrolo[1,2-a]quinoxalin-4-yl-N-[2-(pyrrolo[1,2-a]quinoxalin-4-ylamino)ethyl]ethane-1,2-diamine?
N'-pyrrolo[1,2-a]quinoxalin-4-yl-N-[2-(pyrrolo[1,2-a]quinoxalin-4-ylamino)ethyl]ethane-1,2-diamine has a molecular weight of 435.53 g/mol, XLogP of 4.40, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-pyrrolo[1,2-a]quinoxalin-4-yl-N-[2-(pyrrolo[1,2-a]quinoxalin-4-ylamino)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 70688661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).