3-nitro-5,12-dihydroquinoxalino[2,3-b]quinoxaline

C14H9N5O2 — CID 3775159

IUPAC3-nitro-5,12-dihydroquinoxalino[2,3-b]quinoxaline
SMILESO=[N+]([O-])c1ccc2c(c1)Nc1nc3ccccc3nc1N2
InChIInChI=1S/C14H9N5O2/c20-19(21)8-5-6-11-12(7-8)18-14-13(17-11)15-9-3-1-2-4-10(9)16-14/h1-7H,(H,15,17)(H,16,18)
InChIKeyCUMSYMBOSFWKPB-UHFFFAOYSA-N
MW279.26 g/mol
LogP3.34
Rot. Bonds1

About 3-nitro-5,12-dihydroquinoxalino[2,3-b]quinoxaline

3-nitro-5,12-dihydroquinoxalino[2,3-b]quinoxaline (PubChem CID 3775159) has the molecular formula C14H9N5O2 and a molecular weight of 279.26 g/mol. Its IUPAC name is 3-nitro-5,12-dihydroquinoxalino[2,3-b]quinoxaline.

Molecular Properties

Compound Name3-nitro-5,12-dihydroquinoxalino[2,3-b]quinoxaline
PubChem CID3775159
Molecular FormulaC14H9N5O2
Molecular Weight279.26 g/mol
Exact Mass279.08
IUPAC Name3-nitro-5,12-dihydroquinoxalino[2,3-b]quinoxaline
SMILESO=[N+]([O-])c1ccc2c(c1)Nc1nc3ccccc3nc1N2
InChIInChI=1S/C14H9N5O2/c20-19(21)8-5-6-11-12(7-8)18-14-13(17-11)15-9-3-1-2-4-10(9)16-14/h1-7H,(H,15,17)(H,16,18)
InChIKeyCUMSYMBOSFWKPB-UHFFFAOYSA-N
XLogP3.34
TPSA92.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 3-nitro-5,12-dihydroquinoxalino[2,3-b]quinoxaline?
The IUPAC name of 3-nitro-5,12-dihydroquinoxalino[2,3-b]quinoxaline (CID 3775159) is 3-nitro-5,12-dihydroquinoxalino[2,3-b]quinoxaline.
What is the SMILES notation for 3-nitro-5,12-dihydroquinoxalino[2,3-b]quinoxaline?
The canonical SMILES for 3-nitro-5,12-dihydroquinoxalino[2,3-b]quinoxaline is O=[N+]([O-])c1ccc2c(c1)Nc1nc3ccccc3nc1N2.
What is the InChIKey of 3-nitro-5,12-dihydroquinoxalino[2,3-b]quinoxaline?
The InChIKey is CUMSYMBOSFWKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N5O2/c20-19(21)8-5-6-11-12(7-8)18-14-13(17-11)15-9-3-1-2-4-10(9)16-14/h1-7H,(H,15,17)(H,16,18).
What are the key properties of 3-nitro-5,12-dihydroquinoxalino[2,3-b]quinoxaline?
3-nitro-5,12-dihydroquinoxalino[2,3-b]quinoxaline has a molecular weight of 279.26 g/mol, XLogP of 3.34, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-5,12-dihydroquinoxalino[2,3-b]quinoxaline is sourced from PubChem (CID 3775159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).