2-indolo[3,2-b]quinoxalin-6-ylethyl-[3-[2-indolo[3,2-b]quinoxalin-6-ylethyl(dimethyl)azaniumyl]propyl]-dimethylazanium

C39H42N8+2 — CID 24742693

IUPAC2-indolo[3,2-b]quinoxalin-6-ylethyl-[3-[2-indolo[3,2-b]quinoxalin-6-ylethyl(dimethyl)azaniumyl]propyl]-dimethylazanium
SMILESC[N+](C)(CCC[N+](C)(C)CCn1c2ccccc2c2nc3ccccc3nc21)CCn1c2ccccc2c2nc3ccccc3nc21
InChIInChI=1S/C39H42N8/c1-46(2,26-22-44-34-20-11-5-14-28(34)36-38(44)42-32-18-9-7-16-30(32)40-36)24-13-25-47(3,4)27-23-45-35-21-12-6-15-29(35)37-39(45)43-33-19-10-8-17-31(33)41-37/h5-12,14-21H,13,22-27H2,1-4H3/q+2
InChIKeyZQUORQIOPZJUIM-UHFFFAOYSA-N
MW622.82 g/mol
LogP7.03
Rot. Bonds10

About 2-indolo[3,2-b]quinoxalin-6-ylethyl-[3-[2-indolo[3,2-b]quinoxalin-6-ylethyl(dimethyl)azaniumyl]propyl]-dimethylazanium

2-indolo[3,2-b]quinoxalin-6-ylethyl-[3-[2-indolo[3,2-b]quinoxalin-6-ylethyl(dimethyl)azaniumyl]propyl]-dimethylazanium (PubChem CID 24742693) has the molecular formula C39H42N8+2 and a molecular weight of 622.82 g/mol. Its IUPAC name is 2-indolo[3,2-b]quinoxalin-6-ylethyl-[3-[2-indolo[3,2-b]quinoxalin-6-ylethyl(dimethyl)azaniumyl]propyl]-dimethylazanium.

Molecular Properties

Compound Name2-indolo[3,2-b]quinoxalin-6-ylethyl-[3-[2-indolo[3,2-b]quinoxalin-6-ylethyl(dimethyl)azaniumyl]propyl]-dimethylazanium
PubChem CID24742693
Molecular FormulaC39H42N8+2
Molecular Weight622.82 g/mol
Exact Mass622.35
IUPAC Name2-indolo[3,2-b]quinoxalin-6-ylethyl-[3-[2-indolo[3,2-b]quinoxalin-6-ylethyl(dimethyl)azaniumyl]propyl]-dimethylazanium
SMILESC[N+](C)(CCC[N+](C)(C)CCn1c2ccccc2c2nc3ccccc3nc21)CCn1c2ccccc2c2nc3ccccc3nc21
InChIInChI=1S/C39H42N8/c1-46(2,26-22-44-34-20-11-5-14-28(34)36-38(44)42-32-18-9-7-16-30(32)40-36)24-13-25-47(3,4)27-23-45-35-21-12-6-15-29(35)37-39(45)43-33-19-10-8-17-31(33)41-37/h5-12,14-21H,13,22-27H2,1-4H3/q+2
InChIKeyZQUORQIOPZJUIM-UHFFFAOYSA-N
XLogP7.03
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.82
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-indolo[3,2-b]quinoxalin-6-ylethyl-[3-[2-indolo[3,2-b]quinoxalin-6-ylethyl(dimethyl)azaniumyl]propyl]-dimethylazanium?
The IUPAC name of 2-indolo[3,2-b]quinoxalin-6-ylethyl-[3-[2-indolo[3,2-b]quinoxalin-6-ylethyl(dimethyl)azaniumyl]propyl]-dimethylazanium (CID 24742693) is 2-indolo[3,2-b]quinoxalin-6-ylethyl-[3-[2-indolo[3,2-b]quinoxalin-6-ylethyl(dimethyl)azaniumyl]propyl]-dimethylazanium.
What is the SMILES notation for 2-indolo[3,2-b]quinoxalin-6-ylethyl-[3-[2-indolo[3,2-b]quinoxalin-6-ylethyl(dimethyl)azaniumyl]propyl]-dimethylazanium?
The canonical SMILES for 2-indolo[3,2-b]quinoxalin-6-ylethyl-[3-[2-indolo[3,2-b]quinoxalin-6-ylethyl(dimethyl)azaniumyl]propyl]-dimethylazanium is C[N+](C)(CCC[N+](C)(C)CCn1c2ccccc2c2nc3ccccc3nc21)CCn1c2ccccc2c2nc3ccccc3nc21.
What is the InChIKey of 2-indolo[3,2-b]quinoxalin-6-ylethyl-[3-[2-indolo[3,2-b]quinoxalin-6-ylethyl(dimethyl)azaniumyl]propyl]-dimethylazanium?
The InChIKey is ZQUORQIOPZJUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H42N8/c1-46(2,26-22-44-34-20-11-5-14-28(34)36-38(44)42-32-18-9-7-16-30(32)40-36)24-13-25-47(3,4)27-23-45-35-21-12-6-15-29(35)37-39(45)43-33-19-10-8-17-31(33)41-37/h5-12,14-21H,13,22-27H2,1-4H3/q+2.
What are the key properties of 2-indolo[3,2-b]quinoxalin-6-ylethyl-[3-[2-indolo[3,2-b]quinoxalin-6-ylethyl(dimethyl)azaniumyl]propyl]-dimethylazanium?
2-indolo[3,2-b]quinoxalin-6-ylethyl-[3-[2-indolo[3,2-b]quinoxalin-6-ylethyl(dimethyl)azaniumyl]propyl]-dimethylazanium has a molecular weight of 622.82 g/mol, XLogP of 7.03, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-indolo[3,2-b]quinoxalin-6-ylethyl-[3-[2-indolo[3,2-b]quinoxalin-6-ylethyl(dimethyl)azaniumyl]propyl]-dimethylazanium is sourced from PubChem (CID 24742693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).