9-bromo-6-ethyl-2,3-dimethylindolo[3,2-b]quinoxaline

C18H16BrN3 — CID 67910684

IUPAC9-bromo-6-ethyl-2,3-dimethylindolo[3,2-b]quinoxaline
SMILESCCn1c2ccc(Br)cc2c2nc3cc(C)c(C)cc3nc21
InChIInChI=1S/C18H16BrN3/c1-4-22-16-6-5-12(19)9-13(16)17-18(22)21-15-8-11(3)10(2)7-14(15)20-17/h5-9H,4H2,1-3H3
InChIKeyDGBSXLWXOWVXFT-UHFFFAOYSA-N
MW354.25 g/mol
LogP5.14
Rot. Bonds1

About 9-bromo-6-ethyl-2,3-dimethylindolo[3,2-b]quinoxaline

9-bromo-6-ethyl-2,3-dimethylindolo[3,2-b]quinoxaline (PubChem CID 67910684) has the molecular formula C18H16BrN3 and a molecular weight of 354.25 g/mol. Its IUPAC name is 9-bromo-6-ethyl-2,3-dimethylindolo[3,2-b]quinoxaline.

Molecular Properties

Compound Name9-bromo-6-ethyl-2,3-dimethylindolo[3,2-b]quinoxaline
PubChem CID67910684
Molecular FormulaC18H16BrN3
Molecular Weight354.25 g/mol
Exact Mass353.05
IUPAC Name9-bromo-6-ethyl-2,3-dimethylindolo[3,2-b]quinoxaline
SMILESCCn1c2ccc(Br)cc2c2nc3cc(C)c(C)cc3nc21
InChIInChI=1S/C18H16BrN3/c1-4-22-16-6-5-12(19)9-13(16)17-18(22)21-15-8-11(3)10(2)7-14(15)20-17/h5-9H,4H2,1-3H3
InChIKeyDGBSXLWXOWVXFT-UHFFFAOYSA-N
XLogP5.14
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.25
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-bromo-6-ethyl-2,3-dimethylindolo[3,2-b]quinoxaline?
The IUPAC name of 9-bromo-6-ethyl-2,3-dimethylindolo[3,2-b]quinoxaline (CID 67910684) is 9-bromo-6-ethyl-2,3-dimethylindolo[3,2-b]quinoxaline.
What is the SMILES notation for 9-bromo-6-ethyl-2,3-dimethylindolo[3,2-b]quinoxaline?
The canonical SMILES for 9-bromo-6-ethyl-2,3-dimethylindolo[3,2-b]quinoxaline is CCn1c2ccc(Br)cc2c2nc3cc(C)c(C)cc3nc21.
What is the InChIKey of 9-bromo-6-ethyl-2,3-dimethylindolo[3,2-b]quinoxaline?
The InChIKey is DGBSXLWXOWVXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN3/c1-4-22-16-6-5-12(19)9-13(16)17-18(22)21-15-8-11(3)10(2)7-14(15)20-17/h5-9H,4H2,1-3H3.
What are the key properties of 9-bromo-6-ethyl-2,3-dimethylindolo[3,2-b]quinoxaline?
9-bromo-6-ethyl-2,3-dimethylindolo[3,2-b]quinoxaline has a molecular weight of 354.25 g/mol, XLogP of 5.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-6-ethyl-2,3-dimethylindolo[3,2-b]quinoxaline is sourced from PubChem (CID 67910684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).