bis(2-(2,3-dimethylindolo[3,2-b]quinoxalin-6-yl)ethyl-dimethyl-propylazanium);bromide

C46H58BrN8+ — CID 24742598

IUPACbis(2-(2,3-dimethylindolo[3,2-b]quinoxalin-6-yl)ethyl-dimethyl-propylazanium);bromide
SMILESCCC[N+](C)(C)CCn1c2ccccc2c2nc3cc(C)c(C)cc3nc21.CCC[N+](C)(C)CCn1c2ccccc2c2nc3cc(C)c(C)cc3nc21.[Br-]
InChIInChI=1S/2C23H29N4.BrH/c2*1-6-12-27(4,5)13-11-26-21-10-8-7-9-18(21)22-23(26)25-20-15-17(3)16(2)14-19(20)24-22;/h2*7-10,14-15H,6,11-13H2,1-5H3;1H/q2*+1;/p-1
InChIKeyYPACXRIOHMSSIT-UHFFFAOYSA-M
MW802.93 g/mol
LogP6.69
Rot. Bonds10

About bis(2-(2,3-dimethylindolo[3,2-b]quinoxalin-6-yl)ethyl-dimethyl-propylazanium);bromide

bis(2-(2,3-dimethylindolo[3,2-b]quinoxalin-6-yl)ethyl-dimethyl-propylazanium);bromide (PubChem CID 24742598) has the molecular formula C46H58BrN8+ and a molecular weight of 802.93 g/mol. Its IUPAC name is bis(2-(2,3-dimethylindolo[3,2-b]quinoxalin-6-yl)ethyl-dimethyl-propylazanium);bromide.

Molecular Properties

Compound Namebis(2-(2,3-dimethylindolo[3,2-b]quinoxalin-6-yl)ethyl-dimethyl-propylazanium);bromide
PubChem CID24742598
Molecular FormulaC46H58BrN8+
Molecular Weight802.93 g/mol
Exact Mass801.40
IUPAC Namebis(2-(2,3-dimethylindolo[3,2-b]quinoxalin-6-yl)ethyl-dimethyl-propylazanium);bromide
SMILESCCC[N+](C)(C)CCn1c2ccccc2c2nc3cc(C)c(C)cc3nc21.CCC[N+](C)(C)CCn1c2ccccc2c2nc3cc(C)c(C)cc3nc21.[Br-]
InChIInChI=1S/2C23H29N4.BrH/c2*1-6-12-27(4,5)13-11-26-21-10-8-7-9-18(21)22-23(26)25-20-15-17(3)16(2)14-19(20)24-22;/h2*7-10,14-15H,6,11-13H2,1-5H3;1H/q2*+1;/p-1
InChIKeyYPACXRIOHMSSIT-UHFFFAOYSA-M
XLogP6.69
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500802.93
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze bis(2-(2,3-dimethylindolo[3,2-b]quinoxalin-6-yl)ethyl-dimethyl-propylazanium);bromide with MolForge

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Related Compounds

2-(9-chloroindolo[3,2-b]quinoxalin-6-yl)ethyl-dimethyl-propylazanium
CID 24742691
9-methyl-6-propylindolo[3,2-b]quinoxaline
CID 753381
N-(2-indolo[3,2-b]quinoxalin-6-ylethyl)-N-methylbutan-1-amine
CID 39070776
6-[2-(2-pentylbenzimidazol-1-yl)ethyl]indolo[3,2-b]quinoxaline
CID 4634591
1-indolo[3,2-b]quinoxalin-6-yl-N,N-dimethylmethanamine
CID 5271720
6-(4-bromobutyl)indolo[3,2-b]quinoxaline
CID 39071128
5-[(2,3-dimethylindolo[3,2-b]quinoxalin-6-yl)methyl]furan-2-carboxylic acid
CID 22310107
9-bromo-6-ethyl-2,3-dimethylindolo[3,2-b]quinoxaline
CID 67910684
2-(2,10,12-triazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaen-10-yl)acetic acid
CID 22562352
2-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)butanoic acid
CID 108806279
9-chloro-6-nonylindolo[3,2-b]quinoxaline
CID 2045581
N,N-diethyl-2-(9-methylindolo[3,2-b]quinoxalin-6-yl)ethanamine
CID 2966419

Frequently Asked Questions

What is the IUPAC name of bis(2-(2,3-dimethylindolo[3,2-b]quinoxalin-6-yl)ethyl-dimethyl-propylazanium);bromide?
The IUPAC name of bis(2-(2,3-dimethylindolo[3,2-b]quinoxalin-6-yl)ethyl-dimethyl-propylazanium);bromide (CID 24742598) is bis(2-(2,3-dimethylindolo[3,2-b]quinoxalin-6-yl)ethyl-dimethyl-propylazanium);bromide.
What is the SMILES notation for bis(2-(2,3-dimethylindolo[3,2-b]quinoxalin-6-yl)ethyl-dimethyl-propylazanium);bromide?
The canonical SMILES for bis(2-(2,3-dimethylindolo[3,2-b]quinoxalin-6-yl)ethyl-dimethyl-propylazanium);bromide is CCC[N+](C)(C)CCn1c2ccccc2c2nc3cc(C)c(C)cc3nc21.CCC[N+](C)(C)CCn1c2ccccc2c2nc3cc(C)c(C)cc3nc21.[Br-].
What is the InChIKey of bis(2-(2,3-dimethylindolo[3,2-b]quinoxalin-6-yl)ethyl-dimethyl-propylazanium);bromide?
The InChIKey is YPACXRIOHMSSIT-UHFFFAOYSA-M. The full InChI is InChI=1S/2C23H29N4.BrH/c2*1-6-12-27(4,5)13-11-26-21-10-8-7-9-18(21)22-23(26)25-20-15-17(3)16(2)14-19(20)24-22;/h2*7-10,14-15H,6,11-13H2,1-5H3;1H/q2*+1;/p-1.
What are the key properties of bis(2-(2,3-dimethylindolo[3,2-b]quinoxalin-6-yl)ethyl-dimethyl-propylazanium);bromide?
bis(2-(2,3-dimethylindolo[3,2-b]quinoxalin-6-yl)ethyl-dimethyl-propylazanium);bromide has a molecular weight of 802.93 g/mol, XLogP of 6.69, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-(2,3-dimethylindolo[3,2-b]quinoxalin-6-yl)ethyl-dimethyl-propylazanium);bromide is sourced from PubChem (CID 24742598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).