6-(2-bromoethyl)-9-chloroindolo[3,2-b]quinoxaline

C16H11BrClN3 — CID 2048757

IUPAC6-(2-bromoethyl)-9-chloroindolo[3,2-b]quinoxaline
SMILESClc1ccc2c(c1)c1nc3ccccc3nc1n2CCBr
InChIInChI=1S/C16H11BrClN3/c17-7-8-21-14-6-5-10(18)9-11(14)15-16(21)20-13-4-2-1-3-12(13)19-15/h1-6,9H,7-8H2
InChIKeyYBIIYFPASSROLD-UHFFFAOYSA-N
MW360.64 g/mol
LogP4.79
Rot. Bonds2

About 6-(2-bromoethyl)-9-chloroindolo[3,2-b]quinoxaline

6-(2-bromoethyl)-9-chloroindolo[3,2-b]quinoxaline (PubChem CID 2048757) has the molecular formula C16H11BrClN3 and a molecular weight of 360.64 g/mol. Its IUPAC name is 6-(2-bromoethyl)-9-chloroindolo[3,2-b]quinoxaline.

Molecular Properties

Compound Name6-(2-bromoethyl)-9-chloroindolo[3,2-b]quinoxaline
PubChem CID2048757
Molecular FormulaC16H11BrClN3
Molecular Weight360.64 g/mol
Exact Mass358.98
IUPAC Name6-(2-bromoethyl)-9-chloroindolo[3,2-b]quinoxaline
SMILESClc1ccc2c(c1)c1nc3ccccc3nc1n2CCBr
InChIInChI=1S/C16H11BrClN3/c17-7-8-21-14-6-5-10(18)9-11(14)15-16(21)20-13-4-2-1-3-12(13)19-15/h1-6,9H,7-8H2
InChIKeyYBIIYFPASSROLD-UHFFFAOYSA-N
XLogP4.79
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.64
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2-bromoethyl)-9-chloroindolo[3,2-b]quinoxaline?
The IUPAC name of 6-(2-bromoethyl)-9-chloroindolo[3,2-b]quinoxaline (CID 2048757) is 6-(2-bromoethyl)-9-chloroindolo[3,2-b]quinoxaline.
What is the SMILES notation for 6-(2-bromoethyl)-9-chloroindolo[3,2-b]quinoxaline?
The canonical SMILES for 6-(2-bromoethyl)-9-chloroindolo[3,2-b]quinoxaline is Clc1ccc2c(c1)c1nc3ccccc3nc1n2CCBr.
What is the InChIKey of 6-(2-bromoethyl)-9-chloroindolo[3,2-b]quinoxaline?
The InChIKey is YBIIYFPASSROLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrClN3/c17-7-8-21-14-6-5-10(18)9-11(14)15-16(21)20-13-4-2-1-3-12(13)19-15/h1-6,9H,7-8H2.
What are the key properties of 6-(2-bromoethyl)-9-chloroindolo[3,2-b]quinoxaline?
6-(2-bromoethyl)-9-chloroindolo[3,2-b]quinoxaline has a molecular weight of 360.64 g/mol, XLogP of 4.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-bromoethyl)-9-chloroindolo[3,2-b]quinoxaline is sourced from PubChem (CID 2048757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).