6-nitro-1,2,3,4-tetrahydrobenzo[f]quinoxaline

C12H11N3O2 — CID 91274594

IUPAC6-nitro-1,2,3,4-tetrahydrobenzo[f]quinoxaline
SMILESO=[N+]([O-])c1cc2c(c3ccccc13)NCCN2
InChIInChI=1S/C12H11N3O2/c16-15(17)11-7-10-12(14-6-5-13-10)9-4-2-1-3-8(9)11/h1-4,7,13-14H,5-6H2
InChIKeyGYJWLYCTOWTHKC-UHFFFAOYSA-N
MW229.24 g/mol
LogP2.59
Rot. Bonds1

About 6-nitro-1,2,3,4-tetrahydrobenzo[f]quinoxaline

6-nitro-1,2,3,4-tetrahydrobenzo[f]quinoxaline (PubChem CID 91274594) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is 6-nitro-1,2,3,4-tetrahydrobenzo[f]quinoxaline.

Molecular Properties

Compound Name6-nitro-1,2,3,4-tetrahydrobenzo[f]quinoxaline
PubChem CID91274594
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC Name6-nitro-1,2,3,4-tetrahydrobenzo[f]quinoxaline
SMILESO=[N+]([O-])c1cc2c(c3ccccc13)NCCN2
InChIInChI=1S/C12H11N3O2/c16-15(17)11-7-10-12(14-6-5-13-10)9-4-2-1-3-8(9)11/h1-4,7,13-14H,5-6H2
InChIKeyGYJWLYCTOWTHKC-UHFFFAOYSA-N
XLogP2.59
TPSA67.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 52.59
H-Bond Donors ≤ 52
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 6-nitro-1,2,3,4-tetrahydrobenzo[f]quinoxaline?
The IUPAC name of 6-nitro-1,2,3,4-tetrahydrobenzo[f]quinoxaline (CID 91274594) is 6-nitro-1,2,3,4-tetrahydrobenzo[f]quinoxaline.
What is the SMILES notation for 6-nitro-1,2,3,4-tetrahydrobenzo[f]quinoxaline?
The canonical SMILES for 6-nitro-1,2,3,4-tetrahydrobenzo[f]quinoxaline is O=[N+]([O-])c1cc2c(c3ccccc13)NCCN2.
What is the InChIKey of 6-nitro-1,2,3,4-tetrahydrobenzo[f]quinoxaline?
The InChIKey is GYJWLYCTOWTHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2/c16-15(17)11-7-10-12(14-6-5-13-10)9-4-2-1-3-8(9)11/h1-4,7,13-14H,5-6H2.
What are the key properties of 6-nitro-1,2,3,4-tetrahydrobenzo[f]quinoxaline?
6-nitro-1,2,3,4-tetrahydrobenzo[f]quinoxaline has a molecular weight of 229.24 g/mol, XLogP of 2.59, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitro-1,2,3,4-tetrahydrobenzo[f]quinoxaline is sourced from PubChem (CID 91274594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).