6-nitro-2,3-di(piperidin-1-yl)quinoxaline

C18H23N5O2 — CID 4597717

IUPAC6-nitro-2,3-di(piperidin-1-yl)quinoxaline
SMILESO=[N+]([O-])c1ccc2nc(N3CCCCC3)c(N3CCCCC3)nc2c1
InChIInChI=1S/C18H23N5O2/c24-23(25)14-7-8-15-16(13-14)20-18(22-11-5-2-6-12-22)17(19-15)21-9-3-1-4-10-21/h7-8,13H,1-6,9-12H2
InChIKeyUFJSUCGVLKZJDD-UHFFFAOYSA-N
MW341.42 g/mol
LogP3.52
Rot. Bonds3

About 6-nitro-2,3-di(piperidin-1-yl)quinoxaline

6-nitro-2,3-di(piperidin-1-yl)quinoxaline (PubChem CID 4597717) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 6-nitro-2,3-di(piperidin-1-yl)quinoxaline.

Molecular Properties

Compound Name6-nitro-2,3-di(piperidin-1-yl)quinoxaline
PubChem CID4597717
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name6-nitro-2,3-di(piperidin-1-yl)quinoxaline
SMILESO=[N+]([O-])c1ccc2nc(N3CCCCC3)c(N3CCCCC3)nc2c1
InChIInChI=1S/C18H23N5O2/c24-23(25)14-7-8-15-16(13-14)20-18(22-11-5-2-6-12-22)17(19-15)21-9-3-1-4-10-21/h7-8,13H,1-6,9-12H2
InChIKeyUFJSUCGVLKZJDD-UHFFFAOYSA-N
XLogP3.52
TPSA75.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 53.52
H-Bond Donors ≤ 50
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'}

Analyze 6-nitro-2,3-di(piperidin-1-yl)quinoxaline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-nitro-2,3-di(piperazin-1-yl)quinoxaline
CID 5009613
2,3-bis[4-(2,4-difluorophenyl)piperazin-1-yl]-6-nitroquinoxaline
CID 53363933
3-(4-ethylpiperazin-1-yl)-7-nitroquinoxaline-2-carbonitrile
CID 15650631
2-(azetidin-1-yl)-6-nitroquinoline
CID 121008923
1-(2,4-dinitrophenyl)azepane
CID 2731658
1-(2,4-dinitrophenyl)azocane
CID 9311675
6-nitro-4-phenyl-2-piperidin-1-ylquinazoline
CID 2893917
2,3-bis(3,5-dimethylpyrazol-1-yl)-6-nitroquinoxaline
CID 1249564
cyclobutane;6-nitro-2,1-benzoxazole
CID 70414206
3-nitro-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazole
CID 3567443
6-nitro-N-piperidin-1-yl-1H-benzimidazol-2-amine
CID 83026519
1-(6-nitroquinoxalin-2-yl)piperidin-3-amine;hydrochloride
CID 71644205

Frequently Asked Questions

What is the IUPAC name of 6-nitro-2,3-di(piperidin-1-yl)quinoxaline?
The IUPAC name of 6-nitro-2,3-di(piperidin-1-yl)quinoxaline (CID 4597717) is 6-nitro-2,3-di(piperidin-1-yl)quinoxaline.
What is the SMILES notation for 6-nitro-2,3-di(piperidin-1-yl)quinoxaline?
The canonical SMILES for 6-nitro-2,3-di(piperidin-1-yl)quinoxaline is O=[N+]([O-])c1ccc2nc(N3CCCCC3)c(N3CCCCC3)nc2c1.
What is the InChIKey of 6-nitro-2,3-di(piperidin-1-yl)quinoxaline?
The InChIKey is UFJSUCGVLKZJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c24-23(25)14-7-8-15-16(13-14)20-18(22-11-5-2-6-12-22)17(19-15)21-9-3-1-4-10-21/h7-8,13H,1-6,9-12H2.
What are the key properties of 6-nitro-2,3-di(piperidin-1-yl)quinoxaline?
6-nitro-2,3-di(piperidin-1-yl)quinoxaline has a molecular weight of 341.42 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitro-2,3-di(piperidin-1-yl)quinoxaline is sourced from PubChem (CID 4597717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).