(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

C56H69Cl4F4N19O3 — CID 158985477

IUPAC(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
SMILESCCOC(OCC)OCC.CN1CCNCC1.Cc1ccc2c(nc(Cl)c3nncn32)c1F.Cc1ccc2c(nc(N3CCN(C)CC3)c3nncn32)c1F.Cc1ccc2nc(CN)c(Cl)nc2c1F.Cc1ccc2nc(Cl)c(Cl)nc2c1F.NN
InChIInChI=1S/C15H17FN6.C10H6ClFN4.C10H9ClFN3.C9H5Cl2FN2.C7H16O3.C5H12N2.H4N2/c1-10-3-4-11-13(12(10)16)18-14(15-19-17-9-22(11)15)21-7-5-20(2)6-8-21;1-5-2-3-6-8(7(5)12)14-9(11)10-15-13-4-16(6)10;1-5-2-3-6-9(8(5)12)15-10(11)7(4-13)14-6;1-4-2-3-5-7(6(4)12)14-9(11)8(10)13-5;1-4-8-7(9-5-2)10-6-3;1-7-4-2-6-3-5-7;1-2/h3-4,9H,5-8H2,1-2H3;2-4H,1H3;2-3H,4,13H2,1H3;2-3H,1H3;7H,4-6H2,1-3H3;6H,2-5H2,1H3;1-2H2
InChIKeyJPNCLRAGCNVBRQ-UHFFFAOYSA-N
MW1274.10 g/mol
LogP9.15
Rot. Bonds8

About (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

(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 (PubChem CID 158985477) has the molecular formula C56H69Cl4F4N19O3 and a molecular weight of 1274.10 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID158985477
Molecular FormulaC56H69Cl4F4N19O3
Molecular Weight1274.10 g/mol
Exact Mass1271.45
IUPAC Name(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
SMILESCCOC(OCC)OCC.CN1CCNCC1.Cc1ccc2c(nc(Cl)c3nncn32)c1F.Cc1ccc2c(nc(N3CCN(C)CC3)c3nncn32)c1F.Cc1ccc2nc(CN)c(Cl)nc2c1F.Cc1ccc2nc(Cl)c(Cl)nc2c1F.NN
InChIInChI=1S/C15H17FN6.C10H6ClFN4.C10H9ClFN3.C9H5Cl2FN2.C7H16O3.C5H12N2.H4N2/c1-10-3-4-11-13(12(10)16)18-14(15-19-17-9-22(11)15)21-7-5-20(2)6-8-21;1-5-2-3-6-8(7(5)12)14-9(11)10-15-13-4-16(6)10;1-5-2-3-6-9(8(5)12)15-10(11)7(4-13)14-6;1-4-2-3-5-7(6(4)12)14-9(11)8(10)13-5;1-4-8-7(9-5-2)10-6-3;1-7-4-2-6-3-5-7;1-2/h3-4,9H,5-8H2,1-2H3;2-4H,1H3;2-3H,4,13H2,1H3;2-3H,1H3;7H,4-6H2,1-3H3;6H,2-5H2,1H3;1-2H2
InChIKeyJPNCLRAGCNVBRQ-UHFFFAOYSA-N
XLogP9.15
TPSA265.22 Ų
H-Bond Donors4
H-Bond Acceptors22
Rotatable Bonds8
Heavy Atoms86
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001274.10
LogP ≤ 59.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1022

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 (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 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
[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
Sodium;2-chloro-3-(4-methylpiperazin-1-yl)quinoxaline;2,3-dichloro-6-methylquinoxaline;ethane;7-methyl-4-(4-methylpiperazin-1-yl)tetrazolo[1,5-a]quinoxaline;8-methyl-4-(4-methylpiperazin-1-yl)tetrazolo[1,5-a]quinoxaline;1-methylpiperazine;azide
CID 157905426
(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
CID 158022536
CID 158022536
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

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CCOC(OCC)OCC.CN1CCNCC1.Cc1ccc2c(nc(Cl)c3nncn32)c1F.Cc1ccc2c(nc(N3CCN(C)CC3)c3nncn32)c1F.Cc1ccc2nc(CN)c(Cl)nc2c1F.Cc1ccc2nc(Cl)c(Cl)nc2c1F.NN.
What is the InChIKey of (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?
The InChIKey is JPNCLRAGCNVBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN6.C10H6ClFN4.C10H9ClFN3.C9H5Cl2FN2.C7H16O3.C5H12N2.H4N2/c1-10-3-4-11-13(12(10)16)18-14(15-19-17-9-22(11)15)21-7-5-20(2)6-8-21;1-5-2-3-6-8(7(5)12)14-9(11)10-15-13-4-16(6)10;1-5-2-3-6-9(8(5)12)15-10(11)7(4-13)14-6;1-4-2-3-5-7(6(4)12)14-9(11)8(10)13-5;1-4-8-7(9-5-2)10-6-3;1-7-4-2-6-3-5-7;1-2/h3-4,9H,5-8H2,1-2H3;2-4H,1H3;2-3H,4,13H2,1H3;2-3H,1H3;7H,4-6H2,1-3H3;6H,2-5H2,1H3;1-2H2.
What are the key properties of (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?
(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 has a molecular weight of 1274.10 g/mol, XLogP of 9.15, 8 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 158985477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).