9-nitro-6H-indolo[3,2-b]quinoxaline

C14H8N4O2 — CID 5357493

IUPAC9-nitro-6H-indolo[3,2-b]quinoxaline
SMILESO=[N+]([O-])c1ccc2[nH]c3nc4ccccc4nc3c2c1
InChIInChI=1S/C14H8N4O2/c19-18(20)8-5-6-10-9(7-8)13-14(16-10)17-12-4-2-1-3-11(12)15-13/h1-7H,(H,16,17)
InChIKeyDVCQVUGEZJGWFY-UHFFFAOYSA-N
MW264.24 g/mol
LogP3.17
Rot. Bonds1

About 9-nitro-6H-indolo[3,2-b]quinoxaline

9-nitro-6H-indolo[3,2-b]quinoxaline (PubChem CID 5357493) has the molecular formula C14H8N4O2 and a molecular weight of 264.24 g/mol. Its IUPAC name is 9-nitro-6H-indolo[3,2-b]quinoxaline.

Molecular Properties

Compound Name9-nitro-6H-indolo[3,2-b]quinoxaline
PubChem CID5357493
Molecular FormulaC14H8N4O2
Molecular Weight264.24 g/mol
Exact Mass264.06
IUPAC Name9-nitro-6H-indolo[3,2-b]quinoxaline
SMILESO=[N+]([O-])c1ccc2[nH]c3nc4ccccc4nc3c2c1
InChIInChI=1S/C14H8N4O2/c19-18(20)8-5-6-10-9(7-8)13-14(16-10)17-12-4-2-1-3-11(12)15-13/h1-7H,(H,16,17)
InChIKeyDVCQVUGEZJGWFY-UHFFFAOYSA-N
XLogP3.17
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-nitro-6H-indolo[3,2-b]quinoxaline?
The IUPAC name of 9-nitro-6H-indolo[3,2-b]quinoxaline (CID 5357493) is 9-nitro-6H-indolo[3,2-b]quinoxaline.
What is the SMILES notation for 9-nitro-6H-indolo[3,2-b]quinoxaline?
The canonical SMILES for 9-nitro-6H-indolo[3,2-b]quinoxaline is O=[N+]([O-])c1ccc2[nH]c3nc4ccccc4nc3c2c1.
What is the InChIKey of 9-nitro-6H-indolo[3,2-b]quinoxaline?
The InChIKey is DVCQVUGEZJGWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N4O2/c19-18(20)8-5-6-10-9(7-8)13-14(16-10)17-12-4-2-1-3-11(12)15-13/h1-7H,(H,16,17).
What are the key properties of 9-nitro-6H-indolo[3,2-b]quinoxaline?
9-nitro-6H-indolo[3,2-b]quinoxaline has a molecular weight of 264.24 g/mol, XLogP of 3.17, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-nitro-6H-indolo[3,2-b]quinoxaline is sourced from PubChem (CID 5357493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).