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

C12H7N3O4 — CID 15066342

IUPAC6-nitro-1,4-dihydrobenzo[f]quinoxaline-2,3-dione
SMILESO=c1[nH]c2cc([N+](=O)[O-])c3ccccc3c2[nH]c1=O
InChIInChI=1S/C12H7N3O4/c16-11-12(17)14-10-7-4-2-1-3-6(7)9(15(18)19)5-8(10)13-11/h1-5H,(H,13,16)(H,14,17)
InChIKeyNPNXFGJTBMDAMA-UHFFFAOYSA-N
MW257.20 g/mol
LogP1.28
Rot. Bonds1

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

6-nitro-1,4-dihydrobenzo[f]quinoxaline-2,3-dione (PubChem CID 15066342) has the molecular formula C12H7N3O4 and a molecular weight of 257.20 g/mol. Its IUPAC name is 6-nitro-1,4-dihydrobenzo[f]quinoxaline-2,3-dione.

Molecular Properties

Compound Name6-nitro-1,4-dihydrobenzo[f]quinoxaline-2,3-dione
PubChem CID15066342
Molecular FormulaC12H7N3O4
Molecular Weight257.20 g/mol
Exact Mass257.04
IUPAC Name6-nitro-1,4-dihydrobenzo[f]quinoxaline-2,3-dione
SMILESO=c1[nH]c2cc([N+](=O)[O-])c3ccccc3c2[nH]c1=O
InChIInChI=1S/C12H7N3O4/c16-11-12(17)14-10-7-4-2-1-3-6(7)9(15(18)19)5-8(10)13-11/h1-5H,(H,13,16)(H,14,17)
InChIKeyNPNXFGJTBMDAMA-UHFFFAOYSA-N
XLogP1.28
TPSA108.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.20
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-nitro-1,4-dihydrobenzo[f]quinoxaline-2,3-dione?
The IUPAC name of 6-nitro-1,4-dihydrobenzo[f]quinoxaline-2,3-dione (CID 15066342) is 6-nitro-1,4-dihydrobenzo[f]quinoxaline-2,3-dione.
What is the SMILES notation for 6-nitro-1,4-dihydrobenzo[f]quinoxaline-2,3-dione?
The canonical SMILES for 6-nitro-1,4-dihydrobenzo[f]quinoxaline-2,3-dione is O=c1[nH]c2cc([N+](=O)[O-])c3ccccc3c2[nH]c1=O.
What is the InChIKey of 6-nitro-1,4-dihydrobenzo[f]quinoxaline-2,3-dione?
The InChIKey is NPNXFGJTBMDAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7N3O4/c16-11-12(17)14-10-7-4-2-1-3-6(7)9(15(18)19)5-8(10)13-11/h1-5H,(H,13,16)(H,14,17).
What are the key properties of 6-nitro-1,4-dihydrobenzo[f]quinoxaline-2,3-dione?
6-nitro-1,4-dihydrobenzo[f]quinoxaline-2,3-dione has a molecular weight of 257.20 g/mol, XLogP of 1.28, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitro-1,4-dihydrobenzo[f]quinoxaline-2,3-dione is sourced from PubChem (CID 15066342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).