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

C81H97Cl18N24O9P — CID 158401519

About 4,5-dichlorobenzene-1,2-diamine;6,7-dichloro-1,4-dihydroquinoline-2,3-dione;[6,7-dichloro-3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]methanamine;7,8-dichloro-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline;diethoxymethoxyethane;ethyl 2-oxopropanoate;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-dihydroquinoline-2,3-dione;[6,7-dichloro-3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]methanamine;7,8-dichloro-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline;diethoxymethoxyethane;ethyl 2-oxopropanoate;hydrazine;1-methylpiperazine;phosphoryl trichloride;2,3,6,7-tetrachloroquinoxaline;2,6,7-trichloro-3-(4-methylpiperazin-1-yl)quinoxaline (PubChem CID 158401519) has the molecular formula C81H97Cl18N24O9P and a molecular weight of 2219.95 g/mol. Its IUPAC name is 4,5-dichlorobenzene-1,2-diamine;6,7-dichloro-1,4-dihydroquinoline-2,3-dione;[6,7-dichloro-3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]methanamine;7,8-dichloro-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline;diethoxymethoxyethane;ethyl 2-oxopropanoate;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-dihydroquinoline-2,3-dione;[6,7-dichloro-3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]methanamine;7,8-dichloro-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline;diethoxymethoxyethane;ethyl 2-oxopropanoate;hydrazine;1-methylpiperazine;phosphoryl trichloride;2,3,6,7-tetrachloroquinoxaline;2,6,7-trichloro-3-(4-methylpiperazin-1-yl)quinoxaline
• PubChem CID: 158401519
• Molecular Formula: C81H97Cl18N24O9P
• Molecular Weight: 2219.95 g/mol
• Exact Mass: 2210.20
• IUPAC Name: 4,5-dichlorobenzene-1,2-diamine;6,7-dichloro-1,4-dihydroquinoline-2,3-dione;[6,7-dichloro-3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]methanamine;7,8-dichloro-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline;diethoxymethoxyethane;ethyl 2-oxopropanoate;hydrazine;1-methylpiperazine;phosphoryl trichloride;2,3,6,7-tetrachloroquinoxaline;2,6,7-trichloro-3-(4-methylpiperazin-1-yl)quinoxaline
• SMILES: CCOC(=O)C(C)=O.CCOC(OCC)OCC.CN1CCN(c2nc3cc(Cl)c(Cl)cc3n3cnnc23)CC1.CN1CCN(c2nc3cc(Cl)c(Cl)cc3nc2CN)CC1.CN1CCN(c2nc3cc(Cl)c(Cl)cc3nc2Cl)CC1.CN1CCNCC1.Clc1cc2nc(Cl)c(Cl)nc2cc1Cl.NN.Nc1cc(Cl)c(Cl)cc1N.O=C1Cc2cc(Cl)c(Cl)cc2NC1=O.O=P(Cl)(Cl)Cl
• InChI: InChI=1S/C14H14Cl2N6.C14H17Cl2N5.C13H13Cl3N4.C9H5Cl2NO2.C8H2Cl4N2.C7H16O3.C6H6Cl2N2.C5H12N2.C5H8O3.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;1-20-2-4-21(5-3-20)14-13(8-17)18-11-6-9(15)10(16)7-12(11)19-14;1-19-2-4-20(5-3-19)13-12(16)17-10-6-8(14)9(15)7-11(10)18-13;10-5-1-4-2-8(13)9(14)12-7(4)3-6(5)11;9-3-1-5-6(2-4(3)10)14-8(12)7(11)13-5;1-4-8-7(9-5-2)10-6-3;7-3-1-5(9)6(10)2-4(3)8;1-7-4-2-6-3-5-7;1-3-8-5(7)4(2)6;1-5(2,3)4;1-2/h6-8H,2-5H2,1H3;6-7H,2-5,8,17H2,1H3;6-7H,2-5H2,1H3;1,3H,2H2,(H,12,14);1-2H;7H,4-6H2,1-3H3;1-2H,9-10H2;6H,2-5H2,1H3;3H2,1-2H3;;1-2H2
• InChIKey: GYDSRPMWTDQOJU-UHFFFAOYSA-N
• XLogP: 18.95
• TPSA: 419.53 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 32
• Rotatable Bonds: 12
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2219.95
LogP ≤ 5	18.95
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	32

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-dihydroquinoline-2,3-dione;[6,7-dichloro-3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]methanamine;7,8-dichloro-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline;diethoxymethoxyethane;ethyl 2-oxopropanoate;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-dihydroquinoline-2,3-dione;[6,7-dichloro-3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]methanamine;7,8-dichloro-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline;diethoxymethoxyethane;ethyl 2-oxopropanoate;hydrazine;1-methylpiperazine;phosphoryl trichloride;2,3,6,7-tetrachloroquinoxaline;2,6,7-trichloro-3-(4-methylpiperazin-1-yl)quinoxaline (CID 158401519) is 4,5-dichlorobenzene-1,2-diamine;6,7-dichloro-1,4-dihydroquinoline-2,3-dione;[6,7-dichloro-3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]methanamine;7,8-dichloro-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline;diethoxymethoxyethane;ethyl 2-oxopropanoate;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-dihydroquinoline-2,3-dione;[6,7-dichloro-3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]methanamine;7,8-dichloro-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline;diethoxymethoxyethane;ethyl 2-oxopropanoate;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-dihydroquinoline-2,3-dione;[6,7-dichloro-3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]methanamine;7,8-dichloro-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline;diethoxymethoxyethane;ethyl 2-oxopropanoate;hydrazine;1-methylpiperazine;phosphoryl trichloride;2,3,6,7-tetrachloroquinoxaline;2,6,7-trichloro-3-(4-methylpiperazin-1-yl)quinoxaline is CCOC(=O)C(C)=O.CCOC(OCC)OCC.CN1CCN(c2nc3cc(Cl)c(Cl)cc3n3cnnc23)CC1.CN1CCN(c2nc3cc(Cl)c(Cl)cc3nc2CN)CC1.CN1CCN(c2nc3cc(Cl)c(Cl)cc3nc2Cl)CC1.CN1CCNCC1.Clc1cc2nc(Cl)c(Cl)nc2cc1Cl.NN.Nc1cc(Cl)c(Cl)cc1N.O=C1Cc2cc(Cl)c(Cl)cc2NC1=O.O=P(Cl)(Cl)Cl.

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

The InChIKey is GYDSRPMWTDQOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N6.C14H17Cl2N5.C13H13Cl3N4.C9H5Cl2NO2.C8H2Cl4N2.C7H16O3.C6H6Cl2N2.C5H12N2.C5H8O3.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;1-20-2-4-21(5-3-20)14-13(8-17)18-11-6-9(15)10(16)7-12(11)19-14;1-19-2-4-20(5-3-19)13-12(16)17-10-6-8(14)9(15)7-11(10)18-13;10-5-1-4-2-8(13)9(14)12-7(4)3-6(5)11;9-3-1-5-6(2-4(3)10)14-8(12)7(11)13-5;1-4-8-7(9-5-2)10-6-3;7-3-1-5(9)6(10)2-4(3)8;1-7-4-2-6-3-5-7;1-3-8-5(7)4(2)6;1-5(2,3)4;1-2/h6-8H,2-5H2,1H3;6-7H,2-5,8,17H2,1H3;6-7H,2-5H2,1H3;1,3H,2H2,(H,12,14);1-2H;7H,4-6H2,1-3H3;1-2H,9-10H2;6H,2-5H2,1H3;3H2,1-2H3;;1-2H2.

What are the key properties of 4,5-dichlorobenzene-1,2-diamine;6,7-dichloro-1,4-dihydroquinoline-2,3-dione;[6,7-dichloro-3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]methanamine;7,8-dichloro-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline;diethoxymethoxyethane;ethyl 2-oxopropanoate;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-dihydroquinoline-2,3-dione;[6,7-dichloro-3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]methanamine;7,8-dichloro-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline;diethoxymethoxyethane;ethyl 2-oxopropanoate;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 2219.95 g/mol, XLogP of 18.95, 12 rotatable bonds, 7 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 4,5-dichlorobenzene-1,2-diamine;6,7-dichloro-1,4-dihydroquinoline-2,3-dione;[6,7-dichloro-3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]methanamine;7,8-dichloro-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline;diethoxymethoxyethane;ethyl 2-oxopropanoate;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 158401519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).