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

C65H90Cl3F4N21O3 — CID 159836350

IUPAC2-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
SMILESCCOC(OCC)OCC.CN1CCNCC1.Cc1cc2c(cc1F)nc(N1CCN(C)CC1)c1nncn12.Cc1cc2nc(CN)c(N3CCN(C)CC3)nc2cc1F.Cc1cc2nc(Cl)c(Cl)nc2cc1F.Cc1cc2nc(Cl)c(N3CCN(C)CC3)nc2cc1F.NN
InChIInChI=1S/C15H17FN6.C15H20FN5.C14H16ClFN4.C9H5Cl2FN2.C7H16O3.C5H12N2.H4N2/c1-10-7-13-12(8-11(10)16)18-14(15-19-17-9-22(13)15)21-5-3-20(2)4-6-21;1-10-7-12-13(8-11(10)16)19-15(14(9-17)18-12)21-5-3-20(2)4-6-21;1-9-7-11-12(8-10(9)16)18-14(13(15)17-11)20-5-3-19(2)4-6-20;1-4-2-6-7(3-5(4)12)14-9(11)8(10)13-6;1-4-8-7(9-5-2)10-6-3;1-7-4-2-6-3-5-7;1-2/h7-9H,3-6H2,1-2H3;7-8H,3-6,9,17H2,1-2H3;7-8H,3-6H2,1-2H3;2-3H,1H3;7H,4-6H2,1-3H3;6H,2-5H2,1H3;1-2H2
InChIKeyNOCWPVZBDYBMNU-UHFFFAOYSA-N
MW1395.93 g/mol
LogP8.35
Rot. Bonds10

About 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

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 (PubChem CID 159836350) has the molecular formula C65H90Cl3F4N21O3 and a molecular weight of 1395.93 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID159836350
Molecular FormulaC65H90Cl3F4N21O3
Molecular Weight1395.93 g/mol
Exact Mass1393.65
IUPAC Name2-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
SMILESCCOC(OCC)OCC.CN1CCNCC1.Cc1cc2c(cc1F)nc(N1CCN(C)CC1)c1nncn12.Cc1cc2nc(CN)c(N3CCN(C)CC3)nc2cc1F.Cc1cc2nc(Cl)c(Cl)nc2cc1F.Cc1cc2nc(Cl)c(N3CCN(C)CC3)nc2cc1F.NN
InChIInChI=1S/C15H17FN6.C15H20FN5.C14H16ClFN4.C9H5Cl2FN2.C7H16O3.C5H12N2.H4N2/c1-10-7-13-12(8-11(10)16)18-14(15-19-17-9-22(13)15)21-5-3-20(2)4-6-21;1-10-7-12-13(8-11(10)16)19-15(14(9-17)18-12)21-5-3-20(2)4-6-21;1-9-7-11-12(8-10(9)16)18-14(13(15)17-11)20-5-3-19(2)4-6-20;1-4-2-6-7(3-5(4)12)14-9(11)8(10)13-6;1-4-8-7(9-5-2)10-6-3;1-7-4-2-6-3-5-7;1-2/h7-9H,3-6H2,1-2H3;7-8H,3-6,9,17H2,1-2H3;7-8H,3-6H2,1-2H3;2-3H,1H3;7H,4-6H2,1-3H3;6H,2-5H2,1H3;1-2H2
InChIKeyNOCWPVZBDYBMNU-UHFFFAOYSA-N
XLogP8.35
TPSA260.88 Ų
H-Bond Donors4
H-Bond Acceptors24
Rotatable Bonds10
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001395.93
LogP ≤ 58.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1024

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-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 with MolForge

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Related Compounds

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
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
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
Acetaldehyde;7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-3-(1-ethylpiperidin-4-yl)-5-fluoro-1,2,4-benzotriazine;7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-3-piperidin-4-yl-1,2,4-benzotriazine;dihydrochloride
CID 157218258
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCOC(OCC)OCC.CN1CCNCC1.Cc1cc2c(cc1F)nc(N1CCN(C)CC1)c1nncn12.Cc1cc2nc(CN)c(N3CCN(C)CC3)nc2cc1F.Cc1cc2nc(Cl)c(Cl)nc2cc1F.Cc1cc2nc(Cl)c(N3CCN(C)CC3)nc2cc1F.NN.
What is the InChIKey of 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?
The InChIKey is NOCWPVZBDYBMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN6.C15H20FN5.C14H16ClFN4.C9H5Cl2FN2.C7H16O3.C5H12N2.H4N2/c1-10-7-13-12(8-11(10)16)18-14(15-19-17-9-22(13)15)21-5-3-20(2)4-6-21;1-10-7-12-13(8-11(10)16)19-15(14(9-17)18-12)21-5-3-20(2)4-6-21;1-9-7-11-12(8-10(9)16)18-14(13(15)17-11)20-5-3-19(2)4-6-20;1-4-2-6-7(3-5(4)12)14-9(11)8(10)13-6;1-4-8-7(9-5-2)10-6-3;1-7-4-2-6-3-5-7;1-2/h7-9H,3-6H2,1-2H3;7-8H,3-6,9,17H2,1-2H3;7-8H,3-6H2,1-2H3;2-3H,1H3;7H,4-6H2,1-3H3;6H,2-5H2,1H3;1-2H2.
What are the key properties of 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?
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 has a molecular weight of 1395.93 g/mol, XLogP of 8.35, 10 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159836350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).