6,7-dibromo-2-hexylquinoxaline

C14H16Br2N2 — CID 156775501

IUPAC6,7-dibromo-2-hexylquinoxaline
SMILESCCCCCCc1cnc2cc(Br)c(Br)cc2n1
InChIInChI=1S/C14H16Br2N2/c1-2-3-4-5-6-10-9-17-13-7-11(15)12(16)8-14(13)18-10/h7-9H,2-6H2,1H3
InChIKeyBLJFOPVSQLQZKH-UHFFFAOYSA-N
MW372.10 g/mol
LogP5.28
Rot. Bonds5

About 6,7-dibromo-2-hexylquinoxaline

6,7-dibromo-2-hexylquinoxaline (PubChem CID 156775501) has the molecular formula C14H16Br2N2 and a molecular weight of 372.10 g/mol. Its IUPAC name is 6,7-dibromo-2-hexylquinoxaline.

Molecular Properties

Compound Name6,7-dibromo-2-hexylquinoxaline
PubChem CID156775501
Molecular FormulaC14H16Br2N2
Molecular Weight372.10 g/mol
Exact Mass369.97
IUPAC Name6,7-dibromo-2-hexylquinoxaline
SMILESCCCCCCc1cnc2cc(Br)c(Br)cc2n1
InChIInChI=1S/C14H16Br2N2/c1-2-3-4-5-6-10-9-17-13-7-11(15)12(16)8-14(13)18-10/h7-9H,2-6H2,1H3
InChIKeyBLJFOPVSQLQZKH-UHFFFAOYSA-N
XLogP5.28
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.10
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6,7-dichloro-2-hexylquinoxaline
CID 156775502
2-octylquinoxaline
CID 141276580
2-tetradecylquinoxaline
CID 21024312
3-butylbenzo[g]quinoxaline
CID 156775499
6-nitro-2-octylquinoxaline
CID 139992057
2,3-dimethyl-5-undecylpyrazine
CID 57349452
4-butyl-2,6-di(docosyl)pyridine
CID 91143668
2,6-diheptyl-4-propylpyridine
CID 91426264
6-fluoro-2-propylquinoxaline
CID 144941009
4,6-di(pentadecyl)pyrimidine
CID 91242686
4,6-di(tridecyl)pyrimidine
CID 91541522
4,6-dihexadecylpyrimidine
CID 91309058

Frequently Asked Questions

What is the IUPAC name of 6,7-dibromo-2-hexylquinoxaline?
The IUPAC name of 6,7-dibromo-2-hexylquinoxaline (CID 156775501) is 6,7-dibromo-2-hexylquinoxaline.
What is the SMILES notation for 6,7-dibromo-2-hexylquinoxaline?
The canonical SMILES for 6,7-dibromo-2-hexylquinoxaline is CCCCCCc1cnc2cc(Br)c(Br)cc2n1.
What is the InChIKey of 6,7-dibromo-2-hexylquinoxaline?
The InChIKey is BLJFOPVSQLQZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Br2N2/c1-2-3-4-5-6-10-9-17-13-7-11(15)12(16)8-14(13)18-10/h7-9H,2-6H2,1H3.
What are the key properties of 6,7-dibromo-2-hexylquinoxaline?
6,7-dibromo-2-hexylquinoxaline has a molecular weight of 372.10 g/mol, XLogP of 5.28, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dibromo-2-hexylquinoxaline is sourced from PubChem (CID 156775501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).