2-(9-chloroindolo[3,2-b]quinoxalin-6-yl)ethyl-dimethyl-propylazanium

C21H24ClN4+ — CID 24742691

IUPAC2-(9-chloroindolo[3,2-b]quinoxalin-6-yl)ethyl-dimethyl-propylazanium
SMILESCCC[N+](C)(C)CCn1c2ccc(Cl)cc2c2nc3ccccc3nc21
InChIInChI=1S/C21H24ClN4/c1-4-12-26(2,3)13-11-25-19-10-9-15(22)14-16(19)20-21(25)24-18-8-6-5-7-17(18)23-20/h5-10,14H,4,11-13H2,1-3H3/q+1
InChIKeyYLDKEXBBUNVCIY-UHFFFAOYSA-N
MW367.90 g/mol
LogP4.88
Rot. Bonds5

About 2-(9-chloroindolo[3,2-b]quinoxalin-6-yl)ethyl-dimethyl-propylazanium

2-(9-chloroindolo[3,2-b]quinoxalin-6-yl)ethyl-dimethyl-propylazanium (PubChem CID 24742691) has the molecular formula C21H24ClN4+ and a molecular weight of 367.90 g/mol. Its IUPAC name is 2-(9-chloroindolo[3,2-b]quinoxalin-6-yl)ethyl-dimethyl-propylazanium.

Molecular Properties

Compound Name2-(9-chloroindolo[3,2-b]quinoxalin-6-yl)ethyl-dimethyl-propylazanium
PubChem CID24742691
Molecular FormulaC21H24ClN4+
Molecular Weight367.90 g/mol
Exact Mass367.17
IUPAC Name2-(9-chloroindolo[3,2-b]quinoxalin-6-yl)ethyl-dimethyl-propylazanium
SMILESCCC[N+](C)(C)CCn1c2ccc(Cl)cc2c2nc3ccccc3nc21
InChIInChI=1S/C21H24ClN4/c1-4-12-26(2,3)13-11-25-19-10-9-15(22)14-16(19)20-21(25)24-18-8-6-5-7-17(18)23-20/h5-10,14H,4,11-13H2,1-3H3/q+1
InChIKeyYLDKEXBBUNVCIY-UHFFFAOYSA-N
XLogP4.88
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.90
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(9-chloroindolo[3,2-b]quinoxalin-6-yl)ethyl-dimethyl-propylazanium?
The IUPAC name of 2-(9-chloroindolo[3,2-b]quinoxalin-6-yl)ethyl-dimethyl-propylazanium (CID 24742691) is 2-(9-chloroindolo[3,2-b]quinoxalin-6-yl)ethyl-dimethyl-propylazanium.
What is the SMILES notation for 2-(9-chloroindolo[3,2-b]quinoxalin-6-yl)ethyl-dimethyl-propylazanium?
The canonical SMILES for 2-(9-chloroindolo[3,2-b]quinoxalin-6-yl)ethyl-dimethyl-propylazanium is CCC[N+](C)(C)CCn1c2ccc(Cl)cc2c2nc3ccccc3nc21.
What is the InChIKey of 2-(9-chloroindolo[3,2-b]quinoxalin-6-yl)ethyl-dimethyl-propylazanium?
The InChIKey is YLDKEXBBUNVCIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN4/c1-4-12-26(2,3)13-11-25-19-10-9-15(22)14-16(19)20-21(25)24-18-8-6-5-7-17(18)23-20/h5-10,14H,4,11-13H2,1-3H3/q+1.
What are the key properties of 2-(9-chloroindolo[3,2-b]quinoxalin-6-yl)ethyl-dimethyl-propylazanium?
2-(9-chloroindolo[3,2-b]quinoxalin-6-yl)ethyl-dimethyl-propylazanium has a molecular weight of 367.90 g/mol, XLogP of 4.88, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-chloroindolo[3,2-b]quinoxalin-6-yl)ethyl-dimethyl-propylazanium is sourced from PubChem (CID 24742691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).