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

C16H21N7O2 — CID 5009613

IUPAC6-nitro-2,3-di(piperazin-1-yl)quinoxaline
SMILESO=[N+]([O-])c1ccc2nc(N3CCNCC3)c(N3CCNCC3)nc2c1
InChIInChI=1S/C16H21N7O2/c24-23(25)12-1-2-13-14(11-12)20-16(22-9-5-18-6-10-22)15(19-13)21-7-3-17-4-8-21/h1-2,11,17-18H,3-10H2
InChIKeyMBURRSGRHNXZGN-UHFFFAOYSA-N
MW343.39 g/mol
LogP0.36
Rot. Bonds3

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

6-nitro-2,3-di(piperazin-1-yl)quinoxaline (PubChem CID 5009613) has the molecular formula C16H21N7O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is 6-nitro-2,3-di(piperazin-1-yl)quinoxaline.

Molecular Properties

Compound Name6-nitro-2,3-di(piperazin-1-yl)quinoxaline
PubChem CID5009613
Molecular FormulaC16H21N7O2
Molecular Weight343.39 g/mol
Exact Mass343.18
IUPAC Name6-nitro-2,3-di(piperazin-1-yl)quinoxaline
SMILESO=[N+]([O-])c1ccc2nc(N3CCNCC3)c(N3CCNCC3)nc2c1
InChIInChI=1S/C16H21N7O2/c24-23(25)12-1-2-13-14(11-12)20-16(22-9-5-18-6-10-22)15(19-13)21-7-3-17-4-8-21/h1-2,11,17-18H,3-10H2
InChIKeyMBURRSGRHNXZGN-UHFFFAOYSA-N
XLogP0.36
TPSA99.46 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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Related Compounds

6-nitro-2,3-di(piperidin-1-yl)quinoxaline
CID 4597717
6-nitro-2-piperazin-1-yl-1,3-benzoxazole
CID 79883049
2,3-bis[4-(2,4-difluorophenyl)piperazin-1-yl]-6-nitroquinoxaline
CID 53363933
5-nitro-3-piperazin-1-yl-1H-indazole
CID 71748554
3-(4-ethylpiperazin-1-yl)-7-nitroquinoxaline-2-carbonitrile
CID 15650631
1-(2-tert-butyl-4-nitrophenyl)piperazine
CID 139271864
1-(3-nitrophenyl)piperazine
CID 2760216
1-[4-nitro-2-(1,2,4-triazol-4-yl)phenyl]piperazine
CID 56737324
1-(3-nitrophenyl)piperazine;hydrochloride
CID 2760215
4-(3-methyl-6-nitroquinolin-2-yl)piperazine-1-carbaldehyde
CID 86599779
1-[3-[(E)-(2-nitrofluoren-9-ylidene)methyl]-2-pyridinyl]piperazine
CID 90251363
2,3-bis(3,5-dimethylpyrazol-1-yl)-6-nitroquinoxaline
CID 1249564

Frequently Asked Questions

What is the IUPAC name of 6-nitro-2,3-di(piperazin-1-yl)quinoxaline?
The IUPAC name of 6-nitro-2,3-di(piperazin-1-yl)quinoxaline (CID 5009613) is 6-nitro-2,3-di(piperazin-1-yl)quinoxaline.
What is the SMILES notation for 6-nitro-2,3-di(piperazin-1-yl)quinoxaline?
The canonical SMILES for 6-nitro-2,3-di(piperazin-1-yl)quinoxaline is O=[N+]([O-])c1ccc2nc(N3CCNCC3)c(N3CCNCC3)nc2c1.
What is the InChIKey of 6-nitro-2,3-di(piperazin-1-yl)quinoxaline?
The InChIKey is MBURRSGRHNXZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N7O2/c24-23(25)12-1-2-13-14(11-12)20-16(22-9-5-18-6-10-22)15(19-13)21-7-3-17-4-8-21/h1-2,11,17-18H,3-10H2.
What are the key properties of 6-nitro-2,3-di(piperazin-1-yl)quinoxaline?
6-nitro-2,3-di(piperazin-1-yl)quinoxaline has a molecular weight of 343.39 g/mol, XLogP of 0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitro-2,3-di(piperazin-1-yl)quinoxaline is sourced from PubChem (CID 5009613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).