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

C72H76Cl13F6N22O9P — CID 158831198

IUPAC4-chloro-5-fluorobenzene-1,2-diamine;7-chloro-6-fluoro-1,4-dihydroquinoline-2,3-dione;7-chloro-8-fluoro-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline;(3,6-dichloro-7-fluoroquinoxalin-2-yl)methanamine;4,7-dichloro-8-fluoro-[1,2,4]triazolo[4,3-a]quinoxaline;diethoxymethoxyethane;ethyl 2-oxopropanoate;hydrazine;1-methylpiperazine;phosphoryl trichloride;2,3,6-trichloro-7-fluoroquinoxaline
SMILESCCOC(=O)C(C)=O.CCOC(OCC)OCC.CN1CCN(c2nc3cc(Cl)c(F)cc3n3cnnc23)CC1.CN1CCNCC1.Fc1cc2c(cc1Cl)nc(Cl)c1nncn12.Fc1cc2nc(Cl)c(Cl)nc2cc1Cl.NCc1nc2cc(F)c(Cl)cc2nc1Cl.NN.Nc1cc(F)c(Cl)cc1N.O=C1Cc2cc(F)c(Cl)cc2NC1=O.O=P(Cl)(Cl)Cl
InChIInChI=1S/C14H14ClFN6.C9H3Cl2FN4.C9H6Cl2FN3.C9H5ClFNO2.C8H2Cl3FN2.C7H16O3.C6H6ClFN2.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;10-4-1-6-7(2-5(4)12)16-3-13-15-9(16)8(11)14-6;10-4-1-6-7(2-5(4)12)14-8(3-13)9(11)15-6;10-5-3-7-4(1-6(5)11)2-8(13)9(14)12-7;9-3-1-5-6(2-4(3)12)14-8(11)7(10)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;1-3H;1-2H,3,13H2;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
InChIKeyIXBIZVDASRNROV-UHFFFAOYSA-N
MW1999.40 g/mol
LogP16.66
Rot. Bonds10

About 4-chloro-5-fluorobenzene-1,2-diamine;7-chloro-6-fluoro-1,4-dihydroquinoline-2,3-dione;7-chloro-8-fluoro-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline;(3,6-dichloro-7-fluoroquinoxalin-2-yl)methanamine;4,7-dichloro-8-fluoro-[1,2,4]triazolo[4,3-a]quinoxaline;diethoxymethoxyethane;ethyl 2-oxopropanoate;hydrazine;1-methylpiperazine;phosphoryl trichloride;2,3,6-trichloro-7-fluoroquinoxaline

4-chloro-5-fluorobenzene-1,2-diamine;7-chloro-6-fluoro-1,4-dihydroquinoline-2,3-dione;7-chloro-8-fluoro-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline;(3,6-dichloro-7-fluoroquinoxalin-2-yl)methanamine;4,7-dichloro-8-fluoro-[1,2,4]triazolo[4,3-a]quinoxaline;diethoxymethoxyethane;ethyl 2-oxopropanoate;hydrazine;1-methylpiperazine;phosphoryl trichloride;2,3,6-trichloro-7-fluoroquinoxaline (PubChem CID 158831198) has the molecular formula C72H76Cl13F6N22O9P and a molecular weight of 1999.40 g/mol. Its IUPAC name is 4-chloro-5-fluorobenzene-1,2-diamine;7-chloro-6-fluoro-1,4-dihydroquinoline-2,3-dione;7-chloro-8-fluoro-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline;(3,6-dichloro-7-fluoroquinoxalin-2-yl)methanamine;4,7-dichloro-8-fluoro-[1,2,4]triazolo[4,3-a]quinoxaline;diethoxymethoxyethane;ethyl 2-oxopropanoate;hydrazine;1-methylpiperazine;phosphoryl trichloride;2,3,6-trichloro-7-fluoroquinoxaline.

Molecular Properties

Compound Name4-chloro-5-fluorobenzene-1,2-diamine;7-chloro-6-fluoro-1,4-dihydroquinoline-2,3-dione;7-chloro-8-fluoro-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline;(3,6-dichloro-7-fluoroquinoxalin-2-yl)methanamine;4,7-dichloro-8-fluoro-[1,2,4]triazolo[4,3-a]quinoxaline;diethoxymethoxyethane;ethyl 2-oxopropanoate;hydrazine;1-methylpiperazine;phosphoryl trichloride;2,3,6-trichloro-7-fluoroquinoxaline
PubChem CID158831198
Molecular FormulaC72H76Cl13F6N22O9P
Molecular Weight1999.40 g/mol
Exact Mass1992.18
IUPAC Name4-chloro-5-fluorobenzene-1,2-diamine;7-chloro-6-fluoro-1,4-dihydroquinoline-2,3-dione;7-chloro-8-fluoro-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline;(3,6-dichloro-7-fluoroquinoxalin-2-yl)methanamine;4,7-dichloro-8-fluoro-[1,2,4]triazolo[4,3-a]quinoxaline;diethoxymethoxyethane;ethyl 2-oxopropanoate;hydrazine;1-methylpiperazine;phosphoryl trichloride;2,3,6-trichloro-7-fluoroquinoxaline
SMILESCCOC(=O)C(C)=O.CCOC(OCC)OCC.CN1CCN(c2nc3cc(Cl)c(F)cc3n3cnnc23)CC1.CN1CCNCC1.Fc1cc2c(cc1Cl)nc(Cl)c1nncn12.Fc1cc2nc(Cl)c(Cl)nc2cc1Cl.NCc1nc2cc(F)c(Cl)cc2nc1Cl.NN.Nc1cc(F)c(Cl)cc1N.O=C1Cc2cc(F)c(Cl)cc2NC1=O.O=P(Cl)(Cl)Cl
InChIInChI=1S/C14H14ClFN6.C9H3Cl2FN4.C9H6Cl2FN3.C9H5ClFNO2.C8H2Cl3FN2.C7H16O3.C6H6ClFN2.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;10-4-1-6-7(2-5(4)12)16-3-13-15-9(16)8(11)14-6;10-4-1-6-7(2-5(4)12)14-8(3-13)9(11)15-6;10-5-3-7-4(1-6(5)11)2-8(13)9(14)12-7;9-3-1-5-6(2-4(3)12)14-8(11)7(10)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;1-3H;1-2H,3,13H2;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
InChIKeyIXBIZVDASRNROV-UHFFFAOYSA-N
XLogP16.66
TPSA423.87 Ų
H-Bond Donors7
H-Bond Acceptors30
Rotatable Bonds10
Heavy Atoms123
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001999.40
LogP ≤ 516.66
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1030

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'}

Analyze 4-chloro-5-fluorobenzene-1,2-diamine;7-chloro-6-fluoro-1,4-dihydroquinoline-2,3-dione;7-chloro-8-fluoro-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline;(3,6-dichloro-7-fluoroquinoxalin-2-yl)methanamine;4,7-dichloro-8-fluoro-[1,2,4]triazolo[4,3-a]quinoxaline;diethoxymethoxyethane;ethyl 2-oxopropanoate;hydrazine;1-methylpiperazine;phosphoryl trichloride;2,3,6-trichloro-7-fluoroquinoxaline 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
tert-butyl 4-(8-chloro-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;4-chlorobenzene-1,2-diamine;6-chloro-1,4-dihydroquinoline-2,3-dione;8-chloro-4-(1,2,3,6-tetrahydropyridin-4-yl)-[1,2,4]triazolo[4,3-a]quinoxaline;(3,7-dichloroquinoxalin-2-yl)methanamine;4,8-dichloro-[1,2,4]triazolo[4,3-a]quinoxaline;diethoxymethoxyethane;ethyl 2-oxopropanoate;hydrazine;phosphoryl trichloride;2,3,6-trichloroquinoxaline;2,2,2-trifluoroacetic acid
CID 161640912
(3-Chloro-7-methylquinoxalin-2-yl)methanamine;4-chloro-8-methyl-[1,2,4]triazolo[4,3-a]quinoxaline;2,3-dichloro-6-methylquinoxaline;ethyl 2-oxopropanoate;hydrazine;4-methylbenzene-1,2-diamine;6-methyl-1,4-dihydroquinoline-2,3-dione;8-methyl-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline;1-methylpiperazine;phosphoryl trichloride;trimethoxymethane
CID 157296805
CID 157909747
CID 157909747
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
4-Chloro-5-fluorobenzene-1,2-diamine;6-chloro-7-fluoro-1,4-dihydroquinoxaline-2,3-dione;[7-chloro-6-fluoro-3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]hydrazine;8-chloro-7-fluoro-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline;2,7-dichloro-6-fluoro-3-(4-methylpiperazin-1-yl)quinoxaline;diethoxymethoxyethane;diethyl oxalate;hydrazine;1-methylpiperazine;phosphoryl trichloride;2,3,6-trichloro-7-fluoroquinoxaline
CID 158231088
CID 158253817
CID 158253817
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
CID 158618046
CID 158618046
CID 158879000
CID 158879000
4-Chloro-5-methylbenzene-1,2-diamine;7-chloro-6-methyl-1,4-dihydroquinoline-2,3-dione;[7-chloro-6-methyl-3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]methanamine;8-chloro-7-methyl-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline;2,7-dichloro-6-methyl-3-(4-methylpiperazin-1-yl)quinoxaline;diethoxymethoxyethane;ethyl 2-oxopropanoate;hydrazine;1-methylpiperazine;phosphoryl trichloride;2,3,6-trichloro-7-methylquinoxaline
CID 159580538
CID 159594844
CID 159594844

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-fluorobenzene-1,2-diamine;7-chloro-6-fluoro-1,4-dihydroquinoline-2,3-dione;7-chloro-8-fluoro-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline;(3,6-dichloro-7-fluoroquinoxalin-2-yl)methanamine;4,7-dichloro-8-fluoro-[1,2,4]triazolo[4,3-a]quinoxaline;diethoxymethoxyethane;ethyl 2-oxopropanoate;hydrazine;1-methylpiperazine;phosphoryl trichloride;2,3,6-trichloro-7-fluoroquinoxaline?
The IUPAC name of 4-chloro-5-fluorobenzene-1,2-diamine;7-chloro-6-fluoro-1,4-dihydroquinoline-2,3-dione;7-chloro-8-fluoro-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline;(3,6-dichloro-7-fluoroquinoxalin-2-yl)methanamine;4,7-dichloro-8-fluoro-[1,2,4]triazolo[4,3-a]quinoxaline;diethoxymethoxyethane;ethyl 2-oxopropanoate;hydrazine;1-methylpiperazine;phosphoryl trichloride;2,3,6-trichloro-7-fluoroquinoxaline (CID 158831198) is 4-chloro-5-fluorobenzene-1,2-diamine;7-chloro-6-fluoro-1,4-dihydroquinoline-2,3-dione;7-chloro-8-fluoro-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline;(3,6-dichloro-7-fluoroquinoxalin-2-yl)methanamine;4,7-dichloro-8-fluoro-[1,2,4]triazolo[4,3-a]quinoxaline;diethoxymethoxyethane;ethyl 2-oxopropanoate;hydrazine;1-methylpiperazine;phosphoryl trichloride;2,3,6-trichloro-7-fluoroquinoxaline.
What is the SMILES notation for 4-chloro-5-fluorobenzene-1,2-diamine;7-chloro-6-fluoro-1,4-dihydroquinoline-2,3-dione;7-chloro-8-fluoro-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline;(3,6-dichloro-7-fluoroquinoxalin-2-yl)methanamine;4,7-dichloro-8-fluoro-[1,2,4]triazolo[4,3-a]quinoxaline;diethoxymethoxyethane;ethyl 2-oxopropanoate;hydrazine;1-methylpiperazine;phosphoryl trichloride;2,3,6-trichloro-7-fluoroquinoxaline?
The canonical SMILES for 4-chloro-5-fluorobenzene-1,2-diamine;7-chloro-6-fluoro-1,4-dihydroquinoline-2,3-dione;7-chloro-8-fluoro-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline;(3,6-dichloro-7-fluoroquinoxalin-2-yl)methanamine;4,7-dichloro-8-fluoro-[1,2,4]triazolo[4,3-a]quinoxaline;diethoxymethoxyethane;ethyl 2-oxopropanoate;hydrazine;1-methylpiperazine;phosphoryl trichloride;2,3,6-trichloro-7-fluoroquinoxaline is CCOC(=O)C(C)=O.CCOC(OCC)OCC.CN1CCN(c2nc3cc(Cl)c(F)cc3n3cnnc23)CC1.CN1CCNCC1.Fc1cc2c(cc1Cl)nc(Cl)c1nncn12.Fc1cc2nc(Cl)c(Cl)nc2cc1Cl.NCc1nc2cc(F)c(Cl)cc2nc1Cl.NN.Nc1cc(F)c(Cl)cc1N.O=C1Cc2cc(F)c(Cl)cc2NC1=O.O=P(Cl)(Cl)Cl.
What is the InChIKey of 4-chloro-5-fluorobenzene-1,2-diamine;7-chloro-6-fluoro-1,4-dihydroquinoline-2,3-dione;7-chloro-8-fluoro-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline;(3,6-dichloro-7-fluoroquinoxalin-2-yl)methanamine;4,7-dichloro-8-fluoro-[1,2,4]triazolo[4,3-a]quinoxaline;diethoxymethoxyethane;ethyl 2-oxopropanoate;hydrazine;1-methylpiperazine;phosphoryl trichloride;2,3,6-trichloro-7-fluoroquinoxaline?
The InChIKey is IXBIZVDASRNROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN6.C9H3Cl2FN4.C9H6Cl2FN3.C9H5ClFNO2.C8H2Cl3FN2.C7H16O3.C6H6ClFN2.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;10-4-1-6-7(2-5(4)12)16-3-13-15-9(16)8(11)14-6;10-4-1-6-7(2-5(4)12)14-8(3-13)9(11)15-6;10-5-3-7-4(1-6(5)11)2-8(13)9(14)12-7;9-3-1-5-6(2-4(3)12)14-8(11)7(10)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;1-3H;1-2H,3,13H2;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-chloro-5-fluorobenzene-1,2-diamine;7-chloro-6-fluoro-1,4-dihydroquinoline-2,3-dione;7-chloro-8-fluoro-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline;(3,6-dichloro-7-fluoroquinoxalin-2-yl)methanamine;4,7-dichloro-8-fluoro-[1,2,4]triazolo[4,3-a]quinoxaline;diethoxymethoxyethane;ethyl 2-oxopropanoate;hydrazine;1-methylpiperazine;phosphoryl trichloride;2,3,6-trichloro-7-fluoroquinoxaline?
4-chloro-5-fluorobenzene-1,2-diamine;7-chloro-6-fluoro-1,4-dihydroquinoline-2,3-dione;7-chloro-8-fluoro-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline;(3,6-dichloro-7-fluoroquinoxalin-2-yl)methanamine;4,7-dichloro-8-fluoro-[1,2,4]triazolo[4,3-a]quinoxaline;diethoxymethoxyethane;ethyl 2-oxopropanoate;hydrazine;1-methylpiperazine;phosphoryl trichloride;2,3,6-trichloro-7-fluoroquinoxaline has a molecular weight of 1999.40 g/mol, XLogP of 16.66, 10 rotatable bonds, 7 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-fluorobenzene-1,2-diamine;7-chloro-6-fluoro-1,4-dihydroquinoline-2,3-dione;7-chloro-8-fluoro-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline;(3,6-dichloro-7-fluoroquinoxalin-2-yl)methanamine;4,7-dichloro-8-fluoro-[1,2,4]triazolo[4,3-a]quinoxaline;diethoxymethoxyethane;ethyl 2-oxopropanoate;hydrazine;1-methylpiperazine;phosphoryl trichloride;2,3,6-trichloro-7-fluoroquinoxaline is sourced from PubChem (CID 158831198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).