6-bromo-4-butyl-2,3-dihydro-1H-quinoxaline

C12H17BrN2 — CID 83515806

IUPAC6-bromo-4-butyl-2,3-dihydro-1H-quinoxaline
SMILESCCCCN1CCNc2ccc(Br)cc21
InChIInChI=1S/C12H17BrN2/c1-2-3-7-15-8-6-14-11-5-4-10(13)9-12(11)15/h4-5,9,14H,2-3,6-8H2,1H3
InChIKeyHVDSUEGSWOMSIT-UHFFFAOYSA-N
MW269.19 g/mol
LogP3.48
Rot. Bonds3

About 6-bromo-4-butyl-2,3-dihydro-1H-quinoxaline

6-bromo-4-butyl-2,3-dihydro-1H-quinoxaline (PubChem CID 83515806) has the molecular formula C12H17BrN2 and a molecular weight of 269.19 g/mol. Its IUPAC name is 6-bromo-4-butyl-2,3-dihydro-1H-quinoxaline.

Molecular Properties

Compound Name6-bromo-4-butyl-2,3-dihydro-1H-quinoxaline
PubChem CID83515806
Molecular FormulaC12H17BrN2
Molecular Weight269.19 g/mol
Exact Mass268.06
IUPAC Name6-bromo-4-butyl-2,3-dihydro-1H-quinoxaline
SMILESCCCCN1CCNc2ccc(Br)cc21
InChIInChI=1S/C12H17BrN2/c1-2-3-7-15-8-6-14-11-5-4-10(13)9-12(11)15/h4-5,9,14H,2-3,6-8H2,1H3
InChIKeyHVDSUEGSWOMSIT-UHFFFAOYSA-N
XLogP3.48
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.19
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-butyl-2,3-dihydro-1H-quinoxaline?
The IUPAC name of 6-bromo-4-butyl-2,3-dihydro-1H-quinoxaline (CID 83515806) is 6-bromo-4-butyl-2,3-dihydro-1H-quinoxaline.
What is the SMILES notation for 6-bromo-4-butyl-2,3-dihydro-1H-quinoxaline?
The canonical SMILES for 6-bromo-4-butyl-2,3-dihydro-1H-quinoxaline is CCCCN1CCNc2ccc(Br)cc21.
What is the InChIKey of 6-bromo-4-butyl-2,3-dihydro-1H-quinoxaline?
The InChIKey is HVDSUEGSWOMSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2/c1-2-3-7-15-8-6-14-11-5-4-10(13)9-12(11)15/h4-5,9,14H,2-3,6-8H2,1H3.
What are the key properties of 6-bromo-4-butyl-2,3-dihydro-1H-quinoxaline?
6-bromo-4-butyl-2,3-dihydro-1H-quinoxaline has a molecular weight of 269.19 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-butyl-2,3-dihydro-1H-quinoxaline is sourced from PubChem (CID 83515806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).