2-chloro-6-fluoro-3-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)quinoxaline;2,3-dichloro-6-fluoro-7-(trifluoromethyl)quinoxaline;diethoxymethoxyethane;[6-fluoro-3-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)quinoxalin-2-yl]hydrazine;7-fluoro-4-(4-methylpiperazin-1-yl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline;hydrazine;1-methylpiperazine

C64H77Cl3F16N22O3 — CID 159072021

IUPAC2-chloro-6-fluoro-3-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)quinoxaline;2,3-dichloro-6-fluoro-7-(trifluoromethyl)quinoxaline;diethoxymethoxyethane;[6-fluoro-3-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)quinoxalin-2-yl]hydrazine;7-fluoro-4-(4-methylpiperazin-1-yl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline;hydrazine;1-methylpiperazine
SMILESCCOC(OCC)OCC.CN1CCN(c2nc3cc(F)c(C(F)(F)F)cc3n3cnnc23)CC1.CN1CCN(c2nc3cc(F)c(C(F)(F)F)cc3nc2Cl)CC1.CN1CCN(c2nc3cc(F)c(C(F)(F)F)cc3nc2NN)CC1.CN1CCNCC1.Fc1cc2nc(Cl)c(Cl)nc2cc1C(F)(F)F.NN
InChIInChI=1S/C15H14F4N6.C14H13ClF4N4.C14H16F4N6.C9H2Cl2F4N2.C7H16O3.C5H12N2.H4N2/c1-23-2-4-24(5-3-23)13-14-22-20-8-25(14)12-6-9(15(17,18)19)10(16)7-11(12)21-13;1-22-2-4-23(5-3-22)13-12(15)20-10-6-8(14(17,18)19)9(16)7-11(10)21-13;1-23-2-4-24(5-3-23)13-12(22-19)20-10-6-8(14(16,17)18)9(15)7-11(10)21-13;10-7-8(11)17-6-2-4(12)3(9(13,14)15)1-5(6)16-7;1-4-8-7(9-5-2)10-6-3;1-7-4-2-6-3-5-7;1-2/h6-8H,2-5H2,1H3;6-7H,2-5H2,1H3;6-7H,2-5,19H2,1H3,(H,20,22);1-2H;7H,4-6H2,1-3H3;6H,2-5H2,1H3;1-2H2
InChIKeyJZTSEKLHRXREAO-UHFFFAOYSA-N
MW1612.80 g/mol
LogP11.02
Rot. Bonds10

About 2-chloro-6-fluoro-3-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)quinoxaline;2,3-dichloro-6-fluoro-7-(trifluoromethyl)quinoxaline;diethoxymethoxyethane;[6-fluoro-3-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)quinoxalin-2-yl]hydrazine;7-fluoro-4-(4-methylpiperazin-1-yl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline;hydrazine;1-methylpiperazine

2-chloro-6-fluoro-3-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)quinoxaline;2,3-dichloro-6-fluoro-7-(trifluoromethyl)quinoxaline;diethoxymethoxyethane;[6-fluoro-3-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)quinoxalin-2-yl]hydrazine;7-fluoro-4-(4-methylpiperazin-1-yl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline;hydrazine;1-methylpiperazine (PubChem CID 159072021) has the molecular formula C64H77Cl3F16N22O3 and a molecular weight of 1612.80 g/mol. Its IUPAC name is 2-chloro-6-fluoro-3-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)quinoxaline;2,3-dichloro-6-fluoro-7-(trifluoromethyl)quinoxaline;diethoxymethoxyethane;[6-fluoro-3-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)quinoxalin-2-yl]hydrazine;7-fluoro-4-(4-methylpiperazin-1-yl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline;hydrazine;1-methylpiperazine.

Molecular Properties

Compound Name2-chloro-6-fluoro-3-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)quinoxaline;2,3-dichloro-6-fluoro-7-(trifluoromethyl)quinoxaline;diethoxymethoxyethane;[6-fluoro-3-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)quinoxalin-2-yl]hydrazine;7-fluoro-4-(4-methylpiperazin-1-yl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline;hydrazine;1-methylpiperazine
PubChem CID159072021
Molecular FormulaC64H77Cl3F16N22O3
Molecular Weight1612.80 g/mol
Exact Mass1610.54
IUPAC Name2-chloro-6-fluoro-3-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)quinoxaline;2,3-dichloro-6-fluoro-7-(trifluoromethyl)quinoxaline;diethoxymethoxyethane;[6-fluoro-3-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)quinoxalin-2-yl]hydrazine;7-fluoro-4-(4-methylpiperazin-1-yl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline;hydrazine;1-methylpiperazine
SMILESCCOC(OCC)OCC.CN1CCN(c2nc3cc(F)c(C(F)(F)F)cc3n3cnnc23)CC1.CN1CCN(c2nc3cc(F)c(C(F)(F)F)cc3nc2Cl)CC1.CN1CCN(c2nc3cc(F)c(C(F)(F)F)cc3nc2NN)CC1.CN1CCNCC1.Fc1cc2nc(Cl)c(Cl)nc2cc1C(F)(F)F.NN
InChIInChI=1S/C15H14F4N6.C14H13ClF4N4.C14H16F4N6.C9H2Cl2F4N2.C7H16O3.C5H12N2.H4N2/c1-23-2-4-24(5-3-23)13-14-22-20-8-25(14)12-6-9(15(17,18)19)10(16)7-11(12)21-13;1-22-2-4-23(5-3-22)13-12(15)20-10-6-8(14(17,18)19)9(16)7-11(10)21-13;1-23-2-4-24(5-3-23)13-12(22-19)20-10-6-8(14(16,17)18)9(15)7-11(10)21-13;10-7-8(11)17-6-2-4(12)3(9(13,14)15)1-5(6)16-7;1-4-8-7(9-5-2)10-6-3;1-7-4-2-6-3-5-7;1-2/h6-8H,2-5H2,1H3;6-7H,2-5H2,1H3;6-7H,2-5,19H2,1H3,(H,20,22);1-2H;7H,4-6H2,1-3H3;6H,2-5H2,1H3;1-2H2
InChIKeyJZTSEKLHRXREAO-UHFFFAOYSA-N
XLogP11.02
TPSA272.91 Ų
H-Bond Donors5
H-Bond Acceptors25
Rotatable Bonds10
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001612.80
LogP ≤ 511.02
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-chloro-6-fluoro-3-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)quinoxaline;2,3-dichloro-6-fluoro-7-(trifluoromethyl)quinoxaline;diethoxymethoxyethane;[6-fluoro-3-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)quinoxalin-2-yl]hydrazine;7-fluoro-4-(4-methylpiperazin-1-yl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline;hydrazine;1-methylpiperazine with MolForge

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Related Compounds

[7-Chloro-3-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)quinoxalin-2-yl]hydrazine;8-chloro-4-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline;4-chloro-5-(trifluoromethyl)benzene-1,2-diamine;6-chloro-7-(trifluoromethyl)-1,4-dihydroquinoxaline-2,3-dione;2,7-dichloro-3-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)quinoxaline;diethoxymethoxyethane;diethyl oxalate;hydrazine;1-methylpiperazine;phosphoryl trichloride;2,3,6-trichloro-7-(trifluoromethyl)quinoxaline
CID 158100047
Sodium;tert-butyl 4-[3-chloro-7-fluoro-6-(trifluoromethyl)quinoxalin-2-yl]piperazine-1-carboxylate;tert-butyl 4-[7-fluoro-3-hydrazinyl-6-(trifluoromethyl)quinoxalin-2-yl]piperazine-1-carboxylate;tert-butyl 4-[7-fluoro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;2,3-dichloro-6-fluoro-7-(trifluoromethyl)quinoxaline;diethoxymethoxyethane;7-fluoro-4-piperazin-1-yl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline;hydrazine;hydroxide;hydrochloride
CID 158735921
Sodium;3-chloro-5-fluoro-2-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)quinoxaline;2,3-dichloro-5-fluoro-6-(trifluoromethyl)quinoxaline;9-fluoro-4-(4-methylpiperazin-1-yl)-8-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline;1-methylpiperazine;azide
CID 159346792
[3-Chloro-5-fluoro-6-(trifluoromethyl)quinoxalin-2-yl]hydrazine;4-chloro-6-fluoro-7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline;2,3-dichloro-5-fluoro-6-(trifluoromethyl)quinoxaline;diethoxymethoxyethane;6-fluoro-4-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline;hydrazine;1-methylpiperazine
CID 159882307
Sodium;2-chloro-3-(4-methylpiperazin-1-yl)quinoxaline;2,3-dichloro-6-(trifluoromethyl)quinoxaline;1-methylpiperazine;4-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline;4-(4-methylpiperazin-1-yl)-8-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline;1,1,1-trifluoroethane;azide
CID 161104552
[3-Chloro-7-fluoro-6-(trifluoromethyl)quinoxalin-2-yl]hydrazine;4-chloro-8-fluoro-7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline;2,3-dichloro-6-fluoro-7-(trifluoromethyl)quinoxaline;diethoxymethoxyethane;8-fluoro-4-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline;hydrazine;1-methylpiperazine
CID 162214592
Sodium;3-chloro-5-fluoro-6-methyl-2-(4-methylpiperazin-1-yl)quinoxaline;2,3-dichloro-5-fluoro-6-methylquinoxaline;9-fluoro-8-methyl-4-(4-methylpiperazin-1-yl)tetrazolo[1,5-a]quinoxaline;1-methylpiperazine;azide
CID 157583455
(3-Chloro-7-fluoro-6-methylquinoxalin-2-yl)methanamine;4-chloro-8-fluoro-7-methyl-[1,2,4]triazolo[4,3-a]quinoxaline;2,3-dichloro-6-fluoro-7-methylquinoxaline;diethoxymethoxyethane;8-fluoro-7-methyl-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline;hydrazine;1-methylpiperazine
CID 157721737
(3-Chloro-7-fluoro-6-methylquinoxalin-2-yl)hydrazine;4-chloro-8-fluoro-7-methyl-[1,2,4]triazolo[4,3-a]quinoxaline;2,3-dichloro-6-fluoro-7-methylquinoxaline;diethoxymethoxyethane;8-fluoro-7-methyl-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline;hydrazine;1-methylpiperazine
CID 157939899
4-Chloro-1,8-dimethyl-[1,2,4]triazolo[4,3-a]quinoxaline;(3-chloro-7-methylquinoxalin-2-yl)methanamine;2,3-dichloro-6-methylquinoxaline;1,1,1-triethoxyethane
CID 158075590
(3-Chloro-5-fluoro-6-methylquinoxalin-2-yl)methanamine;4-chloro-6-fluoro-7-methyl-[1,2,4]triazolo[4,3-a]quinoxaline;2,3-dichloro-5-fluoro-6-methylquinoxaline;diethoxymethoxyethane;6-fluoro-7-methyl-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline;hydrazine;1-methylpiperazine
CID 158985477
2-Chloro-6-fluoro-7-methyl-3-(4-methylpiperazin-1-yl)quinoxaline;2,3-dichloro-6-fluoro-7-methylquinoxaline;diethoxymethoxyethane;[6-fluoro-7-methyl-3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]methanamine;7-fluoro-8-methyl-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline;hydrazine;1-methylpiperazine
CID 159836350

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-3-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)quinoxaline;2,3-dichloro-6-fluoro-7-(trifluoromethyl)quinoxaline;diethoxymethoxyethane;[6-fluoro-3-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)quinoxalin-2-yl]hydrazine;7-fluoro-4-(4-methylpiperazin-1-yl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline;hydrazine;1-methylpiperazine?
The IUPAC name of 2-chloro-6-fluoro-3-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)quinoxaline;2,3-dichloro-6-fluoro-7-(trifluoromethyl)quinoxaline;diethoxymethoxyethane;[6-fluoro-3-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)quinoxalin-2-yl]hydrazine;7-fluoro-4-(4-methylpiperazin-1-yl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline;hydrazine;1-methylpiperazine (CID 159072021) is 2-chloro-6-fluoro-3-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)quinoxaline;2,3-dichloro-6-fluoro-7-(trifluoromethyl)quinoxaline;diethoxymethoxyethane;[6-fluoro-3-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)quinoxalin-2-yl]hydrazine;7-fluoro-4-(4-methylpiperazin-1-yl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline;hydrazine;1-methylpiperazine.
What is the SMILES notation for 2-chloro-6-fluoro-3-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)quinoxaline;2,3-dichloro-6-fluoro-7-(trifluoromethyl)quinoxaline;diethoxymethoxyethane;[6-fluoro-3-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)quinoxalin-2-yl]hydrazine;7-fluoro-4-(4-methylpiperazin-1-yl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline;hydrazine;1-methylpiperazine?
The canonical SMILES for 2-chloro-6-fluoro-3-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)quinoxaline;2,3-dichloro-6-fluoro-7-(trifluoromethyl)quinoxaline;diethoxymethoxyethane;[6-fluoro-3-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)quinoxalin-2-yl]hydrazine;7-fluoro-4-(4-methylpiperazin-1-yl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline;hydrazine;1-methylpiperazine is CCOC(OCC)OCC.CN1CCN(c2nc3cc(F)c(C(F)(F)F)cc3n3cnnc23)CC1.CN1CCN(c2nc3cc(F)c(C(F)(F)F)cc3nc2Cl)CC1.CN1CCN(c2nc3cc(F)c(C(F)(F)F)cc3nc2NN)CC1.CN1CCNCC1.Fc1cc2nc(Cl)c(Cl)nc2cc1C(F)(F)F.NN.
What is the InChIKey of 2-chloro-6-fluoro-3-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)quinoxaline;2,3-dichloro-6-fluoro-7-(trifluoromethyl)quinoxaline;diethoxymethoxyethane;[6-fluoro-3-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)quinoxalin-2-yl]hydrazine;7-fluoro-4-(4-methylpiperazin-1-yl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline;hydrazine;1-methylpiperazine?
The InChIKey is JZTSEKLHRXREAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F4N6.C14H13ClF4N4.C14H16F4N6.C9H2Cl2F4N2.C7H16O3.C5H12N2.H4N2/c1-23-2-4-24(5-3-23)13-14-22-20-8-25(14)12-6-9(15(17,18)19)10(16)7-11(12)21-13;1-22-2-4-23(5-3-22)13-12(15)20-10-6-8(14(17,18)19)9(16)7-11(10)21-13;1-23-2-4-24(5-3-23)13-12(22-19)20-10-6-8(14(16,17)18)9(15)7-11(10)21-13;10-7-8(11)17-6-2-4(12)3(9(13,14)15)1-5(6)16-7;1-4-8-7(9-5-2)10-6-3;1-7-4-2-6-3-5-7;1-2/h6-8H,2-5H2,1H3;6-7H,2-5H2,1H3;6-7H,2-5,19H2,1H3,(H,20,22);1-2H;7H,4-6H2,1-3H3;6H,2-5H2,1H3;1-2H2.
What are the key properties of 2-chloro-6-fluoro-3-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)quinoxaline;2,3-dichloro-6-fluoro-7-(trifluoromethyl)quinoxaline;diethoxymethoxyethane;[6-fluoro-3-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)quinoxalin-2-yl]hydrazine;7-fluoro-4-(4-methylpiperazin-1-yl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline;hydrazine;1-methylpiperazine?
2-chloro-6-fluoro-3-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)quinoxaline;2,3-dichloro-6-fluoro-7-(trifluoromethyl)quinoxaline;diethoxymethoxyethane;[6-fluoro-3-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)quinoxalin-2-yl]hydrazine;7-fluoro-4-(4-methylpiperazin-1-yl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline;hydrazine;1-methylpiperazine has a molecular weight of 1612.80 g/mol, XLogP of 11.02, 10 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-3-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)quinoxaline;2,3-dichloro-6-fluoro-7-(trifluoromethyl)quinoxaline;diethoxymethoxyethane;[6-fluoro-3-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)quinoxalin-2-yl]hydrazine;7-fluoro-4-(4-methylpiperazin-1-yl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline;hydrazine;1-methylpiperazine is sourced from PubChem (CID 159072021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).