4,5-dichlorobenzene-1,2-diamine;6,7-dichloro-1,4-dihydroquinoxaline-2,3-dione;[6,7-dichloro-3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]hydrazine;7,8-dichloro-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline;diethoxymethoxyethane;diethyl oxalate;hydrazine;1-methylpiperazine;phosphoryl trichloride;2,3,6,7-tetrachloroquinoxaline;2,6,7-trichloro-3-(4-methylpiperazin-1-yl)quinoxaline

C80H97Cl18N26O10P — CID 158104846

About 4,5-dichlorobenzene-1,2-diamine;6,7-dichloro-1,4-dihydroquinoxaline-2,3-dione;[6,7-dichloro-3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]hydrazine;7,8-dichloro-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline;diethoxymethoxyethane;diethyl oxalate;hydrazine;1-methylpiperazine;phosphoryl trichloride;2,3,6,7-tetrachloroquinoxaline;2,6,7-trichloro-3-(4-methylpiperazin-1-yl)quinoxaline

4,5-dichlorobenzene-1,2-diamine;6,7-dichloro-1,4-dihydroquinoxaline-2,3-dione;[6,7-dichloro-3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]hydrazine;7,8-dichloro-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline;diethoxymethoxyethane;diethyl oxalate;hydrazine;1-methylpiperazine;phosphoryl trichloride;2,3,6,7-tetrachloroquinoxaline;2,6,7-trichloro-3-(4-methylpiperazin-1-yl)quinoxaline (PubChem CID 158104846) has the molecular formula C80H97Cl18N26O10P and a molecular weight of 2251.96 g/mol. Its IUPAC name is 4,5-dichlorobenzene-1,2-diamine;6,7-dichloro-1,4-dihydroquinoxaline-2,3-dione;[6,7-dichloro-3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]hydrazine;7,8-dichloro-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline;diethoxymethoxyethane;diethyl oxalate;hydrazine;1-methylpiperazine;phosphoryl trichloride;2,3,6,7-tetrachloroquinoxaline;2,6,7-trichloro-3-(4-methylpiperazin-1-yl)quinoxaline.

Molecular Properties

• Compound Name: 4,5-dichlorobenzene-1,2-diamine;6,7-dichloro-1,4-dihydroquinoxaline-2,3-dione;[6,7-dichloro-3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]hydrazine;7,8-dichloro-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline;diethoxymethoxyethane;diethyl oxalate;hydrazine;1-methylpiperazine;phosphoryl trichloride;2,3,6,7-tetrachloroquinoxaline;2,6,7-trichloro-3-(4-methylpiperazin-1-yl)quinoxaline
• PubChem CID: 158104846
• Molecular Formula: C80H97Cl18N26O10P
• Molecular Weight: 2251.96 g/mol
• Exact Mass: 2242.20
• IUPAC Name: 4,5-dichlorobenzene-1,2-diamine;6,7-dichloro-1,4-dihydroquinoxaline-2,3-dione;[6,7-dichloro-3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]hydrazine;7,8-dichloro-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline;diethoxymethoxyethane;diethyl oxalate;hydrazine;1-methylpiperazine;phosphoryl trichloride;2,3,6,7-tetrachloroquinoxaline;2,6,7-trichloro-3-(4-methylpiperazin-1-yl)quinoxaline
• SMILES: CCOC(=O)C(=O)OCC.CCOC(OCC)OCC.CN1CCN(c2nc3cc(Cl)c(Cl)cc3n3cnnc23)CC1.CN1CCN(c2nc3cc(Cl)c(Cl)cc3nc2Cl)CC1.CN1CCN(c2nc3cc(Cl)c(Cl)cc3nc2NN)CC1.CN1CCNCC1.Clc1cc2nc(Cl)c(Cl)nc2cc1Cl.NN.Nc1cc(Cl)c(Cl)cc1N.O=P(Cl)(Cl)Cl.O=c1[nH]c2cc(Cl)c(Cl)cc2[nH]c1=O
• InChI: InChI=1S/C14H14Cl2N6.C13H13Cl3N4.C13H16Cl2N6.C8H2Cl4N2.C8H4Cl2N2O2.C7H16O3.C6H6Cl2N2.C6H10O4.C5H12N2.Cl3OP.H4N2/c1-20-2-4-21(5-3-20)13-14-19-17-8-22(14)12-7-10(16)9(15)6-11(12)18-13;1-19-2-4-20(5-3-19)13-12(16)17-10-6-8(14)9(15)7-11(10)18-13;1-20-2-4-21(5-3-20)13-12(19-16)17-10-6-8(14)9(15)7-11(10)18-13;9-3-1-5-6(2-4(3)10)14-8(12)7(11)13-5;9-3-1-5-6(2-4(3)10)12-8(14)7(13)11-5;1-4-8-7(9-5-2)10-6-3;7-3-1-5(9)6(10)2-4(3)8;1-3-9-5(7)6(8)10-4-2;1-7-4-2-6-3-5-7;1-5(2,3)4;1-2/h6-8H,2-5H2,1H3;6-7H,2-5H2,1H3;6-7H,2-5,16H2,1H3,(H,17,19);1-2H;1-2H,(H,11,13)(H,12,14);7H,4-6H2,1-3H3;1-2H,9-10H2;3-4H2,1-2H3;6H,2-5H2,1H3;;1-2H2
• InChIKey: FPSAXXFDUKISBE-UHFFFAOYSA-N
• XLogP: 18.22
• TPSA: 460.34 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 34
• Rotatable Bonds: 12
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2251.96
LogP ≤ 5	18.22
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'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'}

Frequently Asked Questions

What is the IUPAC name of 4,5-dichlorobenzene-1,2-diamine;6,7-dichloro-1,4-dihydroquinoxaline-2,3-dione;[6,7-dichloro-3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]hydrazine;7,8-dichloro-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline;diethoxymethoxyethane;diethyl oxalate;hydrazine;1-methylpiperazine;phosphoryl trichloride;2,3,6,7-tetrachloroquinoxaline;2,6,7-trichloro-3-(4-methylpiperazin-1-yl)quinoxaline?

The IUPAC name of 4,5-dichlorobenzene-1,2-diamine;6,7-dichloro-1,4-dihydroquinoxaline-2,3-dione;[6,7-dichloro-3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]hydrazine;7,8-dichloro-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline;diethoxymethoxyethane;diethyl oxalate;hydrazine;1-methylpiperazine;phosphoryl trichloride;2,3,6,7-tetrachloroquinoxaline;2,6,7-trichloro-3-(4-methylpiperazin-1-yl)quinoxaline (CID 158104846) is 4,5-dichlorobenzene-1,2-diamine;6,7-dichloro-1,4-dihydroquinoxaline-2,3-dione;[6,7-dichloro-3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]hydrazine;7,8-dichloro-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline;diethoxymethoxyethane;diethyl oxalate;hydrazine;1-methylpiperazine;phosphoryl trichloride;2,3,6,7-tetrachloroquinoxaline;2,6,7-trichloro-3-(4-methylpiperazin-1-yl)quinoxaline.

What is the SMILES notation for 4,5-dichlorobenzene-1,2-diamine;6,7-dichloro-1,4-dihydroquinoxaline-2,3-dione;[6,7-dichloro-3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]hydrazine;7,8-dichloro-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline;diethoxymethoxyethane;diethyl oxalate;hydrazine;1-methylpiperazine;phosphoryl trichloride;2,3,6,7-tetrachloroquinoxaline;2,6,7-trichloro-3-(4-methylpiperazin-1-yl)quinoxaline?

The canonical SMILES for 4,5-dichlorobenzene-1,2-diamine;6,7-dichloro-1,4-dihydroquinoxaline-2,3-dione;[6,7-dichloro-3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]hydrazine;7,8-dichloro-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline;diethoxymethoxyethane;diethyl oxalate;hydrazine;1-methylpiperazine;phosphoryl trichloride;2,3,6,7-tetrachloroquinoxaline;2,6,7-trichloro-3-(4-methylpiperazin-1-yl)quinoxaline is CCOC(=O)C(=O)OCC.CCOC(OCC)OCC.CN1CCN(c2nc3cc(Cl)c(Cl)cc3n3cnnc23)CC1.CN1CCN(c2nc3cc(Cl)c(Cl)cc3nc2Cl)CC1.CN1CCN(c2nc3cc(Cl)c(Cl)cc3nc2NN)CC1.CN1CCNCC1.Clc1cc2nc(Cl)c(Cl)nc2cc1Cl.NN.Nc1cc(Cl)c(Cl)cc1N.O=P(Cl)(Cl)Cl.O=c1[nH]c2cc(Cl)c(Cl)cc2[nH]c1=O.

What is the InChIKey of 4,5-dichlorobenzene-1,2-diamine;6,7-dichloro-1,4-dihydroquinoxaline-2,3-dione;[6,7-dichloro-3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]hydrazine;7,8-dichloro-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline;diethoxymethoxyethane;diethyl oxalate;hydrazine;1-methylpiperazine;phosphoryl trichloride;2,3,6,7-tetrachloroquinoxaline;2,6,7-trichloro-3-(4-methylpiperazin-1-yl)quinoxaline?

The InChIKey is FPSAXXFDUKISBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N6.C13H13Cl3N4.C13H16Cl2N6.C8H2Cl4N2.C8H4Cl2N2O2.C7H16O3.C6H6Cl2N2.C6H10O4.C5H12N2.Cl3OP.H4N2/c1-20-2-4-21(5-3-20)13-14-19-17-8-22(14)12-7-10(16)9(15)6-11(12)18-13;1-19-2-4-20(5-3-19)13-12(16)17-10-6-8(14)9(15)7-11(10)18-13;1-20-2-4-21(5-3-20)13-12(19-16)17-10-6-8(14)9(15)7-11(10)18-13;9-3-1-5-6(2-4(3)10)14-8(12)7(11)13-5;9-3-1-5-6(2-4(3)10)12-8(14)7(13)11-5;1-4-8-7(9-5-2)10-6-3;7-3-1-5(9)6(10)2-4(3)8;1-3-9-5(7)6(8)10-4-2;1-7-4-2-6-3-5-7;1-5(2,3)4;1-2/h6-8H,2-5H2,1H3;6-7H,2-5H2,1H3;6-7H,2-5,16H2,1H3,(H,17,19);1-2H;1-2H,(H,11,13)(H,12,14);7H,4-6H2,1-3H3;1-2H,9-10H2;3-4H2,1-2H3;6H,2-5H2,1H3;;1-2H2.

What are the key properties of 4,5-dichlorobenzene-1,2-diamine;6,7-dichloro-1,4-dihydroquinoxaline-2,3-dione;[6,7-dichloro-3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]hydrazine;7,8-dichloro-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline;diethoxymethoxyethane;diethyl oxalate;hydrazine;1-methylpiperazine;phosphoryl trichloride;2,3,6,7-tetrachloroquinoxaline;2,6,7-trichloro-3-(4-methylpiperazin-1-yl)quinoxaline?

4,5-dichlorobenzene-1,2-diamine;6,7-dichloro-1,4-dihydroquinoxaline-2,3-dione;[6,7-dichloro-3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]hydrazine;7,8-dichloro-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline;diethoxymethoxyethane;diethyl oxalate;hydrazine;1-methylpiperazine;phosphoryl trichloride;2,3,6,7-tetrachloroquinoxaline;2,6,7-trichloro-3-(4-methylpiperazin-1-yl)quinoxaline has a molecular weight of 2251.96 g/mol, XLogP of 18.22, 12 rotatable bonds, 9 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 4,5-dichlorobenzene-1,2-diamine;6,7-dichloro-1,4-dihydroquinoxaline-2,3-dione;[6,7-dichloro-3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]hydrazine;7,8-dichloro-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline;diethoxymethoxyethane;diethyl oxalate;hydrazine;1-methylpiperazine;phosphoryl trichloride;2,3,6,7-tetrachloroquinoxaline;2,6,7-trichloro-3-(4-methylpiperazin-1-yl)quinoxaline is sourced from PubChem (CID 158104846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).