7,9-dibromo-6-octylindolo[3,2-b]quinoxaline

C22H23Br2N3 — CID 4730374

IUPAC7,9-dibromo-6-octylindolo[3,2-b]quinoxaline
SMILESCCCCCCCCn1c2nc3ccccc3nc2c2cc(Br)cc(Br)c21
InChIInChI=1S/C22H23Br2N3/c1-2-3-4-5-6-9-12-27-21-16(13-15(23)14-17(21)24)20-22(27)26-19-11-8-7-10-18(19)25-20/h7-8,10-11,13-14H,2-6,9,12H2,1H3
InChIKeyUGFMJKPFJSSSMF-UHFFFAOYSA-N
MW489.26 g/mol
LogP7.62
Rot. Bonds7

About 7,9-dibromo-6-octylindolo[3,2-b]quinoxaline

7,9-dibromo-6-octylindolo[3,2-b]quinoxaline (PubChem CID 4730374) has the molecular formula C22H23Br2N3 and a molecular weight of 489.26 g/mol. Its IUPAC name is 7,9-dibromo-6-octylindolo[3,2-b]quinoxaline.

Molecular Properties

Compound Name7,9-dibromo-6-octylindolo[3,2-b]quinoxaline
PubChem CID4730374
Molecular FormulaC22H23Br2N3
Molecular Weight489.26 g/mol
Exact Mass487.03
IUPAC Name7,9-dibromo-6-octylindolo[3,2-b]quinoxaline
SMILESCCCCCCCCn1c2nc3ccccc3nc2c2cc(Br)cc(Br)c21
InChIInChI=1S/C22H23Br2N3/c1-2-3-4-5-6-9-12-27-21-16(13-15(23)14-17(21)24)20-22(27)26-19-11-8-7-10-18(19)25-20/h7-8,10-11,13-14H,2-6,9,12H2,1H3
InChIKeyUGFMJKPFJSSSMF-UHFFFAOYSA-N
XLogP7.62
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.26
LogP ≤ 57.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7,9-dibromo-6-propylindolo[3,2-b]quinoxaline
CID 4730370
7,9-dibromo-6-[(4-methoxy-3-pentoxyphenyl)methyl]indolo[3,2-b]quinoxaline
CID 4730404
7,9-dibromo-6-[(4-methylphenyl)methyl]indolo[3,2-b]quinoxaline
CID 4730380
7,9-dibromo-6-[(4-methoxyphenyl)methyl]indolo[3,2-b]quinoxaline
CID 4730390
9-chloro-6-nonylindolo[3,2-b]quinoxaline
CID 2045581
7,9-dibromo-6-[(4-methoxy-3-propoxyphenyl)methyl]indolo[3,2-b]quinoxaline
CID 4730400
7,9-dibromo-6-[(4-propan-2-yloxyphenyl)methyl]indolo[3,2-b]quinoxaline
CID 4730392
6-heptyl-9-methoxyindolo[3,2-b]quinoxaline
CID 3449357
octyl 2-amino-1-pentylpyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 3798847
hexyl 2-amino-1-butylpyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 3721919
heptyl 2-amino-1-butylpyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 4294624
6-(4-bromobutyl)indolo[3,2-b]quinoxaline
CID 39071128

Frequently Asked Questions

What is the IUPAC name of 7,9-dibromo-6-octylindolo[3,2-b]quinoxaline?
The IUPAC name of 7,9-dibromo-6-octylindolo[3,2-b]quinoxaline (CID 4730374) is 7,9-dibromo-6-octylindolo[3,2-b]quinoxaline.
What is the SMILES notation for 7,9-dibromo-6-octylindolo[3,2-b]quinoxaline?
The canonical SMILES for 7,9-dibromo-6-octylindolo[3,2-b]quinoxaline is CCCCCCCCn1c2nc3ccccc3nc2c2cc(Br)cc(Br)c21.
What is the InChIKey of 7,9-dibromo-6-octylindolo[3,2-b]quinoxaline?
The InChIKey is UGFMJKPFJSSSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23Br2N3/c1-2-3-4-5-6-9-12-27-21-16(13-15(23)14-17(21)24)20-22(27)26-19-11-8-7-10-18(19)25-20/h7-8,10-11,13-14H,2-6,9,12H2,1H3.
What are the key properties of 7,9-dibromo-6-octylindolo[3,2-b]quinoxaline?
7,9-dibromo-6-octylindolo[3,2-b]quinoxaline has a molecular weight of 489.26 g/mol, XLogP of 7.62, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9-dibromo-6-octylindolo[3,2-b]quinoxaline is sourced from PubChem (CID 4730374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).