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

C17H13Br2N3 — CID 4730370

IUPAC7,9-dibromo-6-propylindolo[3,2-b]quinoxaline
SMILESCCCn1c2nc3ccccc3nc2c2cc(Br)cc(Br)c21
InChIInChI=1S/C17H13Br2N3/c1-2-7-22-16-11(8-10(18)9-12(16)19)15-17(22)21-14-6-4-3-5-13(14)20-15/h3-6,8-9H,2,7H2,1H3
InChIKeyVNNMOEBMVVFCHW-UHFFFAOYSA-N
MW419.12 g/mol
LogP5.67
Rot. Bonds2

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

7,9-dibromo-6-propylindolo[3,2-b]quinoxaline (PubChem CID 4730370) has the molecular formula C17H13Br2N3 and a molecular weight of 419.12 g/mol. Its IUPAC name is 7,9-dibromo-6-propylindolo[3,2-b]quinoxaline.

Molecular Properties

Compound Name7,9-dibromo-6-propylindolo[3,2-b]quinoxaline
PubChem CID4730370
Molecular FormulaC17H13Br2N3
Molecular Weight419.12 g/mol
Exact Mass416.95
IUPAC Name7,9-dibromo-6-propylindolo[3,2-b]quinoxaline
SMILESCCCn1c2nc3ccccc3nc2c2cc(Br)cc(Br)c21
InChIInChI=1S/C17H13Br2N3/c1-2-7-22-16-11(8-10(18)9-12(16)19)15-17(22)21-14-6-4-3-5-13(14)20-15/h3-6,8-9H,2,7H2,1H3
InChIKeyVNNMOEBMVVFCHW-UHFFFAOYSA-N
XLogP5.67
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.12
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7,9-dibromo-6-propylindolo[3,2-b]quinoxaline?
The IUPAC name of 7,9-dibromo-6-propylindolo[3,2-b]quinoxaline (CID 4730370) is 7,9-dibromo-6-propylindolo[3,2-b]quinoxaline.
What is the SMILES notation for 7,9-dibromo-6-propylindolo[3,2-b]quinoxaline?
The canonical SMILES for 7,9-dibromo-6-propylindolo[3,2-b]quinoxaline is CCCn1c2nc3ccccc3nc2c2cc(Br)cc(Br)c21.
What is the InChIKey of 7,9-dibromo-6-propylindolo[3,2-b]quinoxaline?
The InChIKey is VNNMOEBMVVFCHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Br2N3/c1-2-7-22-16-11(8-10(18)9-12(16)19)15-17(22)21-14-6-4-3-5-13(14)20-15/h3-6,8-9H,2,7H2,1H3.
What are the key properties of 7,9-dibromo-6-propylindolo[3,2-b]quinoxaline?
7,9-dibromo-6-propylindolo[3,2-b]quinoxaline has a molecular weight of 419.12 g/mol, XLogP of 5.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9-dibromo-6-propylindolo[3,2-b]quinoxaline is sourced from PubChem (CID 4730370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).