2,3-bis(4-methylpiperazin-1-yl)-6-nitroquinoxaline

C18H25N7O2 — CID 550696

IUPAC2,3-bis(4-methylpiperazin-1-yl)-6-nitroquinoxaline
SMILESCN1CCN(c2nc3ccc([N+](=O)[O-])cc3nc2N2CCN(C)CC2)CC1
InChIInChI=1S/C18H25N7O2/c1-21-5-9-23(10-6-21)17-18(24-11-7-22(2)8-12-24)20-16-13-14(25(26)27)3-4-15(16)19-17/h3-4,13H,5-12H2,1-2H3
InChIKeyHHGWDNFSHSGQIT-UHFFFAOYSA-N
MW371.45 g/mol
LogP1.04
Rot. Bonds3

About 2,3-bis(4-methylpiperazin-1-yl)-6-nitroquinoxaline

2,3-bis(4-methylpiperazin-1-yl)-6-nitroquinoxaline (PubChem CID 550696) has the molecular formula C18H25N7O2 and a molecular weight of 371.45 g/mol. Its IUPAC name is 2,3-bis(4-methylpiperazin-1-yl)-6-nitroquinoxaline.

Molecular Properties

Compound Name2,3-bis(4-methylpiperazin-1-yl)-6-nitroquinoxaline
PubChem CID550696
Molecular FormulaC18H25N7O2
Molecular Weight371.45 g/mol
Exact Mass371.21
IUPAC Name2,3-bis(4-methylpiperazin-1-yl)-6-nitroquinoxaline
SMILESCN1CCN(c2nc3ccc([N+](=O)[O-])cc3nc2N2CCN(C)CC2)CC1
InChIInChI=1S/C18H25N7O2/c1-21-5-9-23(10-6-21)17-18(24-11-7-22(2)8-12-24)20-16-13-14(25(26)27)3-4-15(16)19-17/h3-4,13H,5-12H2,1-2H3
InChIKeyHHGWDNFSHSGQIT-UHFFFAOYSA-N
XLogP1.04
TPSA81.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.45
LogP ≤ 51.04
H-Bond Donors ≤ 50
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-N,N'-diphenylquinoxaline-2,3-diamine
CID 3793309
(4-Fluorophenyl){3-[(4-fluorophenyl)amino]-6-nitroquinoxalin-2-yl}amine
CID 5077483
8-Nitro-5,12-dihydroquinoxalino[2,3-b]quinoxaline
CID 3775159
Cambridge id 5745286
CID 767246
6-methyl-2-[(3Z)-3-[3-(6-methyl-2-pyridinyl)prop-2-ynylidene]piperidin-1-yl]-3-nitropyridine
CID 25181642
6-nitro-2-N,3-N-bis(2-phenylethyl)quinoxaline-2,3-diamine
CID 155459052
N,N'-(6,7-dinitro-1,4-dihydroquinoxaline-2,3-diylidene)dimethanamine
CID 4686258
3-N-[3-(dimethylamino)propyl]-2-N-[(4-iodophenyl)methyl]-6-nitroquinoxaline-2,3-diamine
CID 168282967
1-Methyl-5-nitro-2-(piperidin-1-ylmethyl)benzimidazole
CID 1263593
2-[2-(4-ethylpiperazin-1-yl)ethyl]-1-methyl-5-nitro-1H-benzimidazole
CID 4859845
1-methyl-5-nitro-2-[2-(1-piperidinyl)ethyl]-1H-benzimidazole
CID 1511213
6-Nitro-2,3-bis[(3-methylphenyl)imino]-1,2,3,4-tetrahydroquinoxaline
CID 3733785

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(4-methylpiperazin-1-yl)-6-nitroquinoxaline?
The IUPAC name of 2,3-bis(4-methylpiperazin-1-yl)-6-nitroquinoxaline (CID 550696) is 2,3-bis(4-methylpiperazin-1-yl)-6-nitroquinoxaline.
What is the SMILES notation for 2,3-bis(4-methylpiperazin-1-yl)-6-nitroquinoxaline?
The canonical SMILES for 2,3-bis(4-methylpiperazin-1-yl)-6-nitroquinoxaline is CN1CCN(c2nc3ccc([N+](=O)[O-])cc3nc2N2CCN(C)CC2)CC1.
What is the InChIKey of 2,3-bis(4-methylpiperazin-1-yl)-6-nitroquinoxaline?
The InChIKey is HHGWDNFSHSGQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N7O2/c1-21-5-9-23(10-6-21)17-18(24-11-7-22(2)8-12-24)20-16-13-14(25(26)27)3-4-15(16)19-17/h3-4,13H,5-12H2,1-2H3.
What are the key properties of 2,3-bis(4-methylpiperazin-1-yl)-6-nitroquinoxaline?
2,3-bis(4-methylpiperazin-1-yl)-6-nitroquinoxaline has a molecular weight of 371.45 g/mol, XLogP of 1.04, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(4-methylpiperazin-1-yl)-6-nitroquinoxaline is sourced from PubChem (CID 550696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).