6-(4-bromobutyl)indolo[3,2-b]quinoxaline

C18H16BrN3 — CID 39071128

IUPAC6-(4-bromobutyl)indolo[3,2-b]quinoxaline
SMILESBrCCCCn1c2ccccc2c2nc3ccccc3nc21
InChIInChI=1S/C18H16BrN3/c19-11-5-6-12-22-16-10-4-1-7-13(16)17-18(22)21-15-9-3-2-8-14(15)20-17/h1-4,7-10H,5-6,11-12H2
InChIKeyVNKBMMTVGRJSHF-UHFFFAOYSA-N
MW354.25 g/mol
LogP4.91
Rot. Bonds4

About 6-(4-bromobutyl)indolo[3,2-b]quinoxaline

6-(4-bromobutyl)indolo[3,2-b]quinoxaline (PubChem CID 39071128) has the molecular formula C18H16BrN3 and a molecular weight of 354.25 g/mol. Its IUPAC name is 6-(4-bromobutyl)indolo[3,2-b]quinoxaline.

Molecular Properties

Compound Name6-(4-bromobutyl)indolo[3,2-b]quinoxaline
PubChem CID39071128
Molecular FormulaC18H16BrN3
Molecular Weight354.25 g/mol
Exact Mass353.05
IUPAC Name6-(4-bromobutyl)indolo[3,2-b]quinoxaline
SMILESBrCCCCn1c2ccccc2c2nc3ccccc3nc21
InChIInChI=1S/C18H16BrN3/c19-11-5-6-12-22-16-10-4-1-7-13(16)17-18(22)21-15-9-3-2-8-14(15)20-17/h1-4,7-10H,5-6,11-12H2
InChIKeyVNKBMMTVGRJSHF-UHFFFAOYSA-N
XLogP4.91
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.25
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(4-bromobutyl)indolo[3,2-b]quinoxaline?
The IUPAC name of 6-(4-bromobutyl)indolo[3,2-b]quinoxaline (CID 39071128) is 6-(4-bromobutyl)indolo[3,2-b]quinoxaline.
What is the SMILES notation for 6-(4-bromobutyl)indolo[3,2-b]quinoxaline?
The canonical SMILES for 6-(4-bromobutyl)indolo[3,2-b]quinoxaline is BrCCCCn1c2ccccc2c2nc3ccccc3nc21.
What is the InChIKey of 6-(4-bromobutyl)indolo[3,2-b]quinoxaline?
The InChIKey is VNKBMMTVGRJSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN3/c19-11-5-6-12-22-16-10-4-1-7-13(16)17-18(22)21-15-9-3-2-8-14(15)20-17/h1-4,7-10H,5-6,11-12H2.
What are the key properties of 6-(4-bromobutyl)indolo[3,2-b]quinoxaline?
6-(4-bromobutyl)indolo[3,2-b]quinoxaline has a molecular weight of 354.25 g/mol, XLogP of 4.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromobutyl)indolo[3,2-b]quinoxaline is sourced from PubChem (CID 39071128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).