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

C87H121Cl6N24O9P — CID 161128623

IUPAC3-chloro-6-methyl-2-(4-methylpiperazin-1-yl)quinoxaline;2,3-dichloro-6-methylquinoxaline;diethoxymethoxyethane;ethyl 2-oxopropanoate;hydrazine;4-methylbenzene-1,2-diamine;6-methyl-1,4-dihydroquinoline-2,3-dione;[7-methyl-3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]methanamine;8-methyl-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline;1-methylpiperazine;phosphoryl trichloride
SMILESCCOC(=O)C(C)=O.CCOC(OCC)OCC.CN1CCNCC1.Cc1ccc(N)c(N)c1.Cc1ccc2c(c1)CC(=O)C(=O)N2.Cc1ccc2nc(Cl)c(Cl)nc2c1.Cc1ccc2nc(N3CCN(C)CC3)c(CN)nc2c1.Cc1ccc2nc(N3CCN(C)CC3)c(Cl)nc2c1.Cc1ccc2nc(N3CCN(C)CC3)c3nncn3c2c1.NN.O=P(Cl)(Cl)Cl
InChIInChI=1S/C15H18N6.C15H21N5.C14H17ClN4.C10H9NO2.C9H6Cl2N2.C7H10N2.C7H16O3.C5H12N2.C5H8O3.Cl3OP.H4N2/c1-11-3-4-12-13(9-11)21-10-16-18-15(21)14(17-12)20-7-5-19(2)6-8-20;1-11-3-4-12-13(9-11)17-14(10-16)15(18-12)20-7-5-19(2)6-8-20;1-10-3-4-11-12(9-10)16-13(15)14(17-11)19-7-5-18(2)6-8-19;1-6-2-3-8-7(4-6)5-9(12)10(13)11-8;1-5-2-3-6-7(4-5)13-9(11)8(10)12-6;1-5-2-3-6(8)7(9)4-5;1-4-8-7(9-5-2)10-6-3;1-7-4-2-6-3-5-7;1-3-8-5(7)4(2)6;1-5(2,3)4;1-2/h3-4,9-10H,5-8H2,1-2H3;3-4,9H,5-8,10,16H2,1-2H3;3-4,9H,5-8H2,1-2H3;2-4H,5H2,1H3,(H,11,13);2-4H,1H3;2-4H,8-9H2,1H3;7H,4-6H2,1-3H3;6H,2-5H2,1H3;3H2,1-2H3;;1-2H2
InChIKeyULWRDDJFVFLEIT-UHFFFAOYSA-N
MW1890.78 g/mol
LogP12.96
Rot. Bonds12

About 3-chloro-6-methyl-2-(4-methylpiperazin-1-yl)quinoxaline;2,3-dichloro-6-methylquinoxaline;diethoxymethoxyethane;ethyl 2-oxopropanoate;hydrazine;4-methylbenzene-1,2-diamine;6-methyl-1,4-dihydroquinoline-2,3-dione;[7-methyl-3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]methanamine;8-methyl-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline;1-methylpiperazine;phosphoryl trichloride

3-chloro-6-methyl-2-(4-methylpiperazin-1-yl)quinoxaline;2,3-dichloro-6-methylquinoxaline;diethoxymethoxyethane;ethyl 2-oxopropanoate;hydrazine;4-methylbenzene-1,2-diamine;6-methyl-1,4-dihydroquinoline-2,3-dione;[7-methyl-3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]methanamine;8-methyl-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline;1-methylpiperazine;phosphoryl trichloride (PubChem CID 161128623) has the molecular formula C87H121Cl6N24O9P and a molecular weight of 1890.78 g/mol. Its IUPAC name is 3-chloro-6-methyl-2-(4-methylpiperazin-1-yl)quinoxaline;2,3-dichloro-6-methylquinoxaline;diethoxymethoxyethane;ethyl 2-oxopropanoate;hydrazine;4-methylbenzene-1,2-diamine;6-methyl-1,4-dihydroquinoline-2,3-dione;[7-methyl-3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]methanamine;8-methyl-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline;1-methylpiperazine;phosphoryl trichloride.

Molecular Properties

Compound Name3-chloro-6-methyl-2-(4-methylpiperazin-1-yl)quinoxaline;2,3-dichloro-6-methylquinoxaline;diethoxymethoxyethane;ethyl 2-oxopropanoate;hydrazine;4-methylbenzene-1,2-diamine;6-methyl-1,4-dihydroquinoline-2,3-dione;[7-methyl-3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]methanamine;8-methyl-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline;1-methylpiperazine;phosphoryl trichloride
PubChem CID161128623
Molecular FormulaC87H121Cl6N24O9P
Molecular Weight1890.78 g/mol
Exact Mass1886.76
IUPAC Name3-chloro-6-methyl-2-(4-methylpiperazin-1-yl)quinoxaline;2,3-dichloro-6-methylquinoxaline;diethoxymethoxyethane;ethyl 2-oxopropanoate;hydrazine;4-methylbenzene-1,2-diamine;6-methyl-1,4-dihydroquinoline-2,3-dione;[7-methyl-3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]methanamine;8-methyl-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline;1-methylpiperazine;phosphoryl trichloride
SMILESCCOC(=O)C(C)=O.CCOC(OCC)OCC.CN1CCNCC1.Cc1ccc(N)c(N)c1.Cc1ccc2c(c1)CC(=O)C(=O)N2.Cc1ccc2nc(Cl)c(Cl)nc2c1.Cc1ccc2nc(N3CCN(C)CC3)c(CN)nc2c1.Cc1ccc2nc(N3CCN(C)CC3)c(Cl)nc2c1.Cc1ccc2nc(N3CCN(C)CC3)c3nncn3c2c1.NN.O=P(Cl)(Cl)Cl
InChIInChI=1S/C15H18N6.C15H21N5.C14H17ClN4.C10H9NO2.C9H6Cl2N2.C7H10N2.C7H16O3.C5H12N2.C5H8O3.Cl3OP.H4N2/c1-11-3-4-12-13(9-11)21-10-16-18-15(21)14(17-12)20-7-5-19(2)6-8-20;1-11-3-4-12-13(9-11)17-14(10-16)15(18-12)20-7-5-19(2)6-8-20;1-10-3-4-11-12(9-10)16-13(15)14(17-11)19-7-5-18(2)6-8-19;1-6-2-3-8-7(4-6)5-9(12)10(13)11-8;1-5-2-3-6-7(4-5)13-9(11)8(10)12-6;1-5-2-3-6(8)7(9)4-5;1-4-8-7(9-5-2)10-6-3;1-7-4-2-6-3-5-7;1-3-8-5(7)4(2)6;1-5(2,3)4;1-2/h3-4,9-10H,5-8H2,1-2H3;3-4,9H,5-8,10,16H2,1-2H3;3-4,9H,5-8H2,1-2H3;2-4H,5H2,1H3,(H,11,13);2-4H,1H3;2-4H,8-9H2,1H3;7H,4-6H2,1-3H3;6H,2-5H2,1H3;3H2,1-2H3;;1-2H2
InChIKeyULWRDDJFVFLEIT-UHFFFAOYSA-N
XLogP12.96
TPSA419.53 Ų
H-Bond Donors7
H-Bond Acceptors32
Rotatable Bonds12
Heavy Atoms127
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001890.78
LogP ≤ 512.96
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1032

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 3-chloro-6-methyl-2-(4-methylpiperazin-1-yl)quinoxaline;2,3-dichloro-6-methylquinoxaline;diethoxymethoxyethane;ethyl 2-oxopropanoate;hydrazine;4-methylbenzene-1,2-diamine;6-methyl-1,4-dihydroquinoline-2,3-dione;[7-methyl-3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]methanamine;8-methyl-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline;1-methylpiperazine;phosphoryl trichloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-methyl-2-(4-methylpiperazin-1-yl)quinoxaline;2,3-dichloro-6-methylquinoxaline;diethoxymethoxyethane;ethyl 2-oxopropanoate;hydrazine;4-methylbenzene-1,2-diamine;6-methyl-1,4-dihydroquinoline-2,3-dione;[7-methyl-3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]methanamine;8-methyl-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline;1-methylpiperazine;phosphoryl trichloride?
The IUPAC name of 3-chloro-6-methyl-2-(4-methylpiperazin-1-yl)quinoxaline;2,3-dichloro-6-methylquinoxaline;diethoxymethoxyethane;ethyl 2-oxopropanoate;hydrazine;4-methylbenzene-1,2-diamine;6-methyl-1,4-dihydroquinoline-2,3-dione;[7-methyl-3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]methanamine;8-methyl-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline;1-methylpiperazine;phosphoryl trichloride (CID 161128623) is 3-chloro-6-methyl-2-(4-methylpiperazin-1-yl)quinoxaline;2,3-dichloro-6-methylquinoxaline;diethoxymethoxyethane;ethyl 2-oxopropanoate;hydrazine;4-methylbenzene-1,2-diamine;6-methyl-1,4-dihydroquinoline-2,3-dione;[7-methyl-3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]methanamine;8-methyl-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline;1-methylpiperazine;phosphoryl trichloride.
What is the SMILES notation for 3-chloro-6-methyl-2-(4-methylpiperazin-1-yl)quinoxaline;2,3-dichloro-6-methylquinoxaline;diethoxymethoxyethane;ethyl 2-oxopropanoate;hydrazine;4-methylbenzene-1,2-diamine;6-methyl-1,4-dihydroquinoline-2,3-dione;[7-methyl-3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]methanamine;8-methyl-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline;1-methylpiperazine;phosphoryl trichloride?
The canonical SMILES for 3-chloro-6-methyl-2-(4-methylpiperazin-1-yl)quinoxaline;2,3-dichloro-6-methylquinoxaline;diethoxymethoxyethane;ethyl 2-oxopropanoate;hydrazine;4-methylbenzene-1,2-diamine;6-methyl-1,4-dihydroquinoline-2,3-dione;[7-methyl-3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]methanamine;8-methyl-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline;1-methylpiperazine;phosphoryl trichloride is CCOC(=O)C(C)=O.CCOC(OCC)OCC.CN1CCNCC1.Cc1ccc(N)c(N)c1.Cc1ccc2c(c1)CC(=O)C(=O)N2.Cc1ccc2nc(Cl)c(Cl)nc2c1.Cc1ccc2nc(N3CCN(C)CC3)c(CN)nc2c1.Cc1ccc2nc(N3CCN(C)CC3)c(Cl)nc2c1.Cc1ccc2nc(N3CCN(C)CC3)c3nncn3c2c1.NN.O=P(Cl)(Cl)Cl.
What is the InChIKey of 3-chloro-6-methyl-2-(4-methylpiperazin-1-yl)quinoxaline;2,3-dichloro-6-methylquinoxaline;diethoxymethoxyethane;ethyl 2-oxopropanoate;hydrazine;4-methylbenzene-1,2-diamine;6-methyl-1,4-dihydroquinoline-2,3-dione;[7-methyl-3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]methanamine;8-methyl-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline;1-methylpiperazine;phosphoryl trichloride?
The InChIKey is ULWRDDJFVFLEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6.C15H21N5.C14H17ClN4.C10H9NO2.C9H6Cl2N2.C7H10N2.C7H16O3.C5H12N2.C5H8O3.Cl3OP.H4N2/c1-11-3-4-12-13(9-11)21-10-16-18-15(21)14(17-12)20-7-5-19(2)6-8-20;1-11-3-4-12-13(9-11)17-14(10-16)15(18-12)20-7-5-19(2)6-8-20;1-10-3-4-11-12(9-10)16-13(15)14(17-11)19-7-5-18(2)6-8-19;1-6-2-3-8-7(4-6)5-9(12)10(13)11-8;1-5-2-3-6-7(4-5)13-9(11)8(10)12-6;1-5-2-3-6(8)7(9)4-5;1-4-8-7(9-5-2)10-6-3;1-7-4-2-6-3-5-7;1-3-8-5(7)4(2)6;1-5(2,3)4;1-2/h3-4,9-10H,5-8H2,1-2H3;3-4,9H,5-8,10,16H2,1-2H3;3-4,9H,5-8H2,1-2H3;2-4H,5H2,1H3,(H,11,13);2-4H,1H3;2-4H,8-9H2,1H3;7H,4-6H2,1-3H3;6H,2-5H2,1H3;3H2,1-2H3;;1-2H2.
What are the key properties of 3-chloro-6-methyl-2-(4-methylpiperazin-1-yl)quinoxaline;2,3-dichloro-6-methylquinoxaline;diethoxymethoxyethane;ethyl 2-oxopropanoate;hydrazine;4-methylbenzene-1,2-diamine;6-methyl-1,4-dihydroquinoline-2,3-dione;[7-methyl-3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]methanamine;8-methyl-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline;1-methylpiperazine;phosphoryl trichloride?
3-chloro-6-methyl-2-(4-methylpiperazin-1-yl)quinoxaline;2,3-dichloro-6-methylquinoxaline;diethoxymethoxyethane;ethyl 2-oxopropanoate;hydrazine;4-methylbenzene-1,2-diamine;6-methyl-1,4-dihydroquinoline-2,3-dione;[7-methyl-3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]methanamine;8-methyl-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline;1-methylpiperazine;phosphoryl trichloride has a molecular weight of 1890.78 g/mol, XLogP of 12.96, 12 rotatable bonds, 7 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-methyl-2-(4-methylpiperazin-1-yl)quinoxaline;2,3-dichloro-6-methylquinoxaline;diethoxymethoxyethane;ethyl 2-oxopropanoate;hydrazine;4-methylbenzene-1,2-diamine;6-methyl-1,4-dihydroquinoline-2,3-dione;[7-methyl-3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]methanamine;8-methyl-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline;1-methylpiperazine;phosphoryl trichloride is sourced from PubChem (CID 161128623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).