(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

C75H94Cl7N22O9P — CID 157296805

IUPAC(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
SMILESCCOC(=O)C(C)=O.CN1CCNCC1.COC(OC)OC.Cc1ccc(N)c(N)c1.Cc1ccc2c(c1)CC(=O)C(=O)N2.Cc1ccc2nc(Cl)c(CN)nc2c1.Cc1ccc2nc(Cl)c(Cl)nc2c1.Cc1ccc2nc(Cl)c3nncn3c2c1.Cc1ccc2nc(N3CCN(C)CC3)c3nncn3c2c1.NN.O=P(Cl)(Cl)Cl
InChIInChI=1S/C15H18N6.C10H7ClN4.C10H10ClN3.C10H9NO2.C9H6Cl2N2.C7H10N2.C5H12N2.C5H8O3.C4H10O3.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;1-6-2-3-7-8(4-6)15-5-12-14-10(15)9(11)13-7;1-6-2-3-7-8(4-6)13-9(5-12)10(11)14-7;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;1-7-4-2-6-3-5-7;1-3-8-5(7)4(2)6;1-5-4(6-2)7-3;1-5(2,3)4;1-2/h3-4,9-10H,5-8H2,1-2H3;2-5H,1H3;2-4H,5,12H2,1H3;2-4H,5H2,1H3,(H,11,13);2-4H,1H3;2-4H,8-9H2,1H3;6H,2-5H2,1H3;3H2,1-2H3;4H,1-3H3;;1-2H2
InChIKeyBBLCENQNQIUIOG-UHFFFAOYSA-N
MW1726.87 g/mol
LogP12.59
Rot. Bonds7

About (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

(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 (PubChem CID 157296805) has the molecular formula C75H94Cl7N22O9P and a molecular weight of 1726.87 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID157296805
Molecular FormulaC75H94Cl7N22O9P
Molecular Weight1726.87 g/mol
Exact Mass1722.51
IUPAC Name(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
SMILESCCOC(=O)C(C)=O.CN1CCNCC1.COC(OC)OC.Cc1ccc(N)c(N)c1.Cc1ccc2c(c1)CC(=O)C(=O)N2.Cc1ccc2nc(Cl)c(CN)nc2c1.Cc1ccc2nc(Cl)c(Cl)nc2c1.Cc1ccc2nc(Cl)c3nncn3c2c1.Cc1ccc2nc(N3CCN(C)CC3)c3nncn3c2c1.NN.O=P(Cl)(Cl)Cl
InChIInChI=1S/C15H18N6.C10H7ClN4.C10H10ClN3.C10H9NO2.C9H6Cl2N2.C7H10N2.C5H12N2.C5H8O3.C4H10O3.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;1-6-2-3-7-8(4-6)15-5-12-14-10(15)9(11)13-7;1-6-2-3-7-8(4-6)13-9(5-12)10(11)14-7;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;1-7-4-2-6-3-5-7;1-3-8-5(7)4(2)6;1-5-4(6-2)7-3;1-5(2,3)4;1-2/h3-4,9-10H,5-8H2,1-2H3;2-5H,1H3;2-4H,5,12H2,1H3;2-4H,5H2,1H3,(H,11,13);2-4H,1H3;2-4H,8-9H2,1H3;6H,2-5H2,1H3;3H2,1-2H3;4H,1-3H3;;1-2H2
InChIKeyBBLCENQNQIUIOG-UHFFFAOYSA-N
XLogP12.59
TPSA423.87 Ų
H-Bond Donors7
H-Bond Acceptors30
Rotatable Bonds7
Heavy Atoms114
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001726.87
LogP ≤ 512.59
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 (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 with MolForge

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Related Compounds

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
CID 157909747
CID 157909747
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
Sodium;(3-chloro-7-methylquinoxalin-2-yl)methanamine;2,3-dichloro-6-methylquinoxaline;ethyl 2-oxopropanoate;hydrazine;4-methylbenzene-1,2-diamine;6-methyl-1,4-dihydroquinoline-2,3-dione;(7-methyl-3-piperazin-1-ylquinoxalin-2-yl)methanamine;8-methyl-4-piperazin-1-yltetrazolo[1,5-a]quinoxaline;phosphoryl trichloride;piperazine;nitrite;hydrochloride
CID 158679090
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
CID 158879000
CID 158879000
4-Chloro-1,7-dimethyl-[1,2,4]triazolo[4,3-a]quinoxaline;4-chloro-1,8-dimethyl-[1,2,4]triazolo[4,3-a]quinoxaline;(3-chloro-6-methylquinoxalin-2-yl)hydrazine;(3-chloro-7-methylquinoxalin-2-yl)hydrazine;2,3-dichloro-6-methylquinoxaline;6-methyl-1,4-dihydroquinoline-2,3-dione
CID 159042866
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
4-Chloro-5-fluorobenzene-1,2-diamine;6-chloro-7-fluoro-1,4-dihydroquinoline-2,3-dione;[7-chloro-6-fluoro-3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]methanamine;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;ethyl 2-oxopropanoate;hydrazine;1-methylpiperazine;phosphoryl trichloride;2,3,6-trichloro-7-fluoroquinoxaline
CID 159634315

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CCOC(=O)C(C)=O.CN1CCNCC1.COC(OC)OC.Cc1ccc(N)c(N)c1.Cc1ccc2c(c1)CC(=O)C(=O)N2.Cc1ccc2nc(Cl)c(CN)nc2c1.Cc1ccc2nc(Cl)c(Cl)nc2c1.Cc1ccc2nc(Cl)c3nncn3c2c1.Cc1ccc2nc(N3CCN(C)CC3)c3nncn3c2c1.NN.O=P(Cl)(Cl)Cl.
What is the InChIKey of (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?
The InChIKey is BBLCENQNQIUIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6.C10H7ClN4.C10H10ClN3.C10H9NO2.C9H6Cl2N2.C7H10N2.C5H12N2.C5H8O3.C4H10O3.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;1-6-2-3-7-8(4-6)15-5-12-14-10(15)9(11)13-7;1-6-2-3-7-8(4-6)13-9(5-12)10(11)14-7;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;1-7-4-2-6-3-5-7;1-3-8-5(7)4(2)6;1-5-4(6-2)7-3;1-5(2,3)4;1-2/h3-4,9-10H,5-8H2,1-2H3;2-5H,1H3;2-4H,5,12H2,1H3;2-4H,5H2,1H3,(H,11,13);2-4H,1H3;2-4H,8-9H2,1H3;6H,2-5H2,1H3;3H2,1-2H3;4H,1-3H3;;1-2H2.
What are the key properties of (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?
(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 has a molecular weight of 1726.87 g/mol, XLogP of 12.59, 7 rotatable bonds, 7 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 157296805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).