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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Related Compounds

ethyl 5-[(9-bromo-2,3-dimethylindolo[3,2-b]quinoxalin-6-yl)methyl]furan-2-carboxylate
CID 5001969
6-ethyl-9-methoxyindolo[3,2-b]quinoxaline
CID 945804
6-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,3,9-trimethylindolo[3,2-b]quinoxaline
CID 176729779
2-(9-chloro-2,3-dimethylindolo[3,2-b]quinoxalin-6-yl)acetamide
CID 44609048
2-[(9-bromoindolo[3,2-b]quinoxalin-6-yl)methyl]-5-phenyl-1,3,4-oxadiazole
CID 3988806
2-[(E)-[(8-bromo-5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazinylidene]methyl]phenol
CID 135726324
bis(2-(2,3-dimethylindolo[3,2-b]quinoxalin-6-yl)ethyl-dimethyl-propylazanium);bromide
CID 24742598
2-(9-bromoindolo[3,2-b]quinoxalin-6-yl)-N-phenyl-N-propan-2-ylacetamide
CID 2131314
8-bromo-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-5-ethyl-[1,2,4]triazino[5,6-b]indol-3-amine
CID 19163869
9-methyl-6-propylindolo[3,2-b]quinoxaline
CID 753381
5-[(2,3-dimethylindolo[3,2-b]quinoxalin-6-yl)methyl]furan-2-carboxylic acid
CID 22310107
6-benzyl-9-methylindolo[3,2-b]quinoxaline
CID 753384

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).