(Z)-N-(4-methylpiperazin-4-ium-1-yl)-1-quinoxalin-2-ylmethanimine

C14H18N5+ — CID 9211190

IUPAC(Z)-N-(4-methylpiperazin-4-ium-1-yl)-1-quinoxalin-2-ylmethanimine
SMILESC[NH+]1CCN(/N=C\c2cnc3ccccc3n2)CC1
InChIInChI=1S/C14H17N5/c1-18-6-8-19(9-7-18)16-11-12-10-15-13-4-2-3-5-14(13)17-12/h2-5,10-11H,6-9H2,1H3/p+1/b16-11-
InChIKeyWRPZAGFHNMMMEX-WJDWOHSUSA-O
MW256.33 g/mol
LogP-0.21
Rot. Bonds2

About (Z)-N-(4-methylpiperazin-4-ium-1-yl)-1-quinoxalin-2-ylmethanimine

(Z)-N-(4-methylpiperazin-4-ium-1-yl)-1-quinoxalin-2-ylmethanimine (PubChem CID 9211190) has the molecular formula C14H18N5+ and a molecular weight of 256.33 g/mol. Its IUPAC name is (Z)-N-(4-methylpiperazin-4-ium-1-yl)-1-quinoxalin-2-ylmethanimine.

Molecular Properties

Compound Name(Z)-N-(4-methylpiperazin-4-ium-1-yl)-1-quinoxalin-2-ylmethanimine
PubChem CID9211190
Molecular FormulaC14H18N5+
Molecular Weight256.33 g/mol
Exact Mass256.16
IUPAC Name(Z)-N-(4-methylpiperazin-4-ium-1-yl)-1-quinoxalin-2-ylmethanimine
SMILESC[NH+]1CCN(/N=C\c2cnc3ccccc3n2)CC1
InChIInChI=1S/C14H17N5/c1-18-6-8-19(9-7-18)16-11-12-10-15-13-4-2-3-5-14(13)17-12/h2-5,10-11H,6-9H2,1H3/p+1/b16-11-
InChIKeyWRPZAGFHNMMMEX-WJDWOHSUSA-O
XLogP-0.21
TPSA45.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_pipzn(79)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (Z)-N-(4-methylpiperazin-4-ium-1-yl)-1-quinoxalin-2-ylmethanimine with MolForge

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Related Compounds

2-[(Z)-quinoxalin-2-ylmethylideneamino]isoindole-1,3-dione
CID 9212085
2-(quinoxalin-2-ylmethylideneamino)phenol
CID 135531091
2-methyl-N-(quinoxalin-2-ylmethylidene)propane-2-sulfinamide
CID 139413501
2-methyl-3-[(Z)-quinoxalin-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-one
CID 9296302
bis(2-methylquinoxaline);hydrate
CID 118096878
ethane;2-methylquinoxaline
CID 90767427
methoxycarbonyl-dioxido-[(E)-quinoxalin-2-ylmethylideneamino]azanium
CID 172931542
7-chloro-2-methyl-3-[(Z)-quinoxalin-2-ylmethylideneamino]quinazolin-4-one
CID 9294801
4-[2-(quinoxalin-2-ylmethylidene)hydrazinyl]benzoic acid
CID 3363664
N-(quinoxalin-2-ylmethylideneamino)cyclopropanecarboxamide
CID 1223964
(Z)-N-(4-methylpiperazin-4-ium-1-yl)-1-(4-morpholin-4-ylphenyl)methanimine
CID 9058568
3-[(3-methoxyphenoxy)methyl]-4-[(Z)-quinoxalin-2-ylmethylideneamino]-1H-1,2,4-triazole-5-thione
CID 9300857

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(4-methylpiperazin-4-ium-1-yl)-1-quinoxalin-2-ylmethanimine?
The IUPAC name of (Z)-N-(4-methylpiperazin-4-ium-1-yl)-1-quinoxalin-2-ylmethanimine (CID 9211190) is (Z)-N-(4-methylpiperazin-4-ium-1-yl)-1-quinoxalin-2-ylmethanimine.
What is the SMILES notation for (Z)-N-(4-methylpiperazin-4-ium-1-yl)-1-quinoxalin-2-ylmethanimine?
The canonical SMILES for (Z)-N-(4-methylpiperazin-4-ium-1-yl)-1-quinoxalin-2-ylmethanimine is C[NH+]1CCN(/N=C\c2cnc3ccccc3n2)CC1.
What is the InChIKey of (Z)-N-(4-methylpiperazin-4-ium-1-yl)-1-quinoxalin-2-ylmethanimine?
The InChIKey is WRPZAGFHNMMMEX-WJDWOHSUSA-O. The full InChI is InChI=1S/C14H17N5/c1-18-6-8-19(9-7-18)16-11-12-10-15-13-4-2-3-5-14(13)17-12/h2-5,10-11H,6-9H2,1H3/p+1/b16-11-.
What are the key properties of (Z)-N-(4-methylpiperazin-4-ium-1-yl)-1-quinoxalin-2-ylmethanimine?
(Z)-N-(4-methylpiperazin-4-ium-1-yl)-1-quinoxalin-2-ylmethanimine has a molecular weight of 256.33 g/mol, XLogP of -0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(4-methylpiperazin-4-ium-1-yl)-1-quinoxalin-2-ylmethanimine is sourced from PubChem (CID 9211190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).