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-dihydroquinoxaline-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)hydrazine;4,8-dichloro-[1,2,4]triazolo[4,3-a]quinoxaline;diethoxymethoxyethane;diethyl oxalate;hydrazine;phosphoryl trichloride;2,3,6-trichloroquinoxaline;2,2,2-trifluoroacetic acid

C103H116BCl14F3N27O18P — CID 159892900

About 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-dihydroquinoxaline-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)hydrazine;4,8-dichloro-[1,2,4]triazolo[4,3-a]quinoxaline;diethoxymethoxyethane;diethyl oxalate;hydrazine;phosphoryl trichloride;2,3,6-trichloroquinoxaline;2,2,2-trifluoroacetic acid

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-dihydroquinoxaline-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)hydrazine;4,8-dichloro-[1,2,4]triazolo[4,3-a]quinoxaline;diethoxymethoxyethane;diethyl oxalate;hydrazine;phosphoryl trichloride;2,3,6-trichloroquinoxaline;2,2,2-trifluoroacetic acid (PubChem CID 159892900) has the molecular formula C103H116BCl14F3N27O18P and a molecular weight of 2615.35 g/mol. Its IUPAC name is 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-dihydroquinoxaline-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)hydrazine;4,8-dichloro-[1,2,4]triazolo[4,3-a]quinoxaline;diethoxymethoxyethane;diethyl oxalate;hydrazine;phosphoryl trichloride;2,3,6-trichloroquinoxaline;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 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-dihydroquinoxaline-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)hydrazine;4,8-dichloro-[1,2,4]triazolo[4,3-a]quinoxaline;diethoxymethoxyethane;diethyl oxalate;hydrazine;phosphoryl trichloride;2,3,6-trichloroquinoxaline;2,2,2-trifluoroacetic acid
• PubChem CID: 159892900
• Molecular Formula: C103H116BCl14F3N27O18P
• Molecular Weight: 2615.35 g/mol
• Exact Mass: 2607.44
• IUPAC Name: 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-dihydroquinoxaline-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)hydrazine;4,8-dichloro-[1,2,4]triazolo[4,3-a]quinoxaline;diethoxymethoxyethane;diethyl oxalate;hydrazine;phosphoryl trichloride;2,3,6-trichloroquinoxaline;2,2,2-trifluoroacetic acid
• SMILES: CC(C)(C)OC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1.CC(C)(C)OC(=O)N1CC=C(c2nc3ccc(Cl)cc3n3cnnc23)CC1.CCOC(=O)C(=O)OCC.CCOC(OCC)OCC.Clc1ccc2nc(C3=CCNCC3)c3nncn3c2c1.Clc1ccc2nc(Cl)c(Cl)nc2c1.Clc1ccc2nc(Cl)c3nncn3c2c1.NN.NNc1nc2cc(Cl)ccc2nc1Cl.Nc1ccc(Cl)cc1N.O=C(O)C(F)(F)F.O=P(Cl)(Cl)Cl.O=c1[nH]c2ccc(Cl)cc2[nH]c1=O
• InChI: InChI=1S/C19H20ClN5O2.C16H28BNO4.C14H12ClN5.C9H4Cl2N4.C8H3Cl3N2.C8H6Cl2N4.C8H5ClN2O2.C7H16O3.C6H7ClN2.C6H10O4.C2HF3O2.Cl3OP.H4N2/c1-19(2,3)27-18(26)24-8-6-12(7-9-24)16-17-23-21-11-25(17)15-10-13(20)4-5-14(15)22-16;1-14(2,3)20-13(19)18-10-8-12(9-11-18)17-21-15(4,5)16(6,7)22-17;15-10-1-2-11-12(7-10)20-8-17-19-14(20)13(18-11)9-3-5-16-6-4-9;10-5-1-2-6-7(3-5)15-4-12-14-9(15)8(11)13-6;9-4-1-2-5-6(3-4)13-8(11)7(10)12-5;9-4-1-2-5-6(3-4)13-8(14-11)7(10)12-5;9-4-1-2-5-6(3-4)11-8(13)7(12)10-5;1-4-8-7(9-5-2)10-6-3;7-4-1-2-5(8)6(9)3-4;1-3-9-5(7)6(8)10-4-2;3-2(4,5)1(6)7;1-5(2,3)4;1-2/h4-6,10-11H,7-9H2,1-3H3;8H,9-11H2,1-7H3;1-3,7-8,16H,4-6H2;1-4H;1-3H;1-3H,11H2,(H,13,14);1-3H,(H,10,12)(H,11,13);7H,4-6H2,1-3H3;1-3H,8-9H2;3-4H2,1-2H3;(H,6,7);;1-2H2
• InChIKey: HOUNMRZLVNVGPE-UHFFFAOYSA-N
• XLogP: 23.97
• TPSA: 612.88 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 40
• Rotatable Bonds: 12
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2615.35
LogP ≤ 5	23.97
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 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-dihydroquinoxaline-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)hydrazine;4,8-dichloro-[1,2,4]triazolo[4,3-a]quinoxaline;diethoxymethoxyethane;diethyl oxalate;hydrazine;phosphoryl trichloride;2,3,6-trichloroquinoxaline;2,2,2-trifluoroacetic acid?

The IUPAC name of 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-dihydroquinoxaline-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)hydrazine;4,8-dichloro-[1,2,4]triazolo[4,3-a]quinoxaline;diethoxymethoxyethane;diethyl oxalate;hydrazine;phosphoryl trichloride;2,3,6-trichloroquinoxaline;2,2,2-trifluoroacetic acid (CID 159892900) is 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-dihydroquinoxaline-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)hydrazine;4,8-dichloro-[1,2,4]triazolo[4,3-a]quinoxaline;diethoxymethoxyethane;diethyl oxalate;hydrazine;phosphoryl trichloride;2,3,6-trichloroquinoxaline;2,2,2-trifluoroacetic acid.

What is the SMILES notation for 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-dihydroquinoxaline-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)hydrazine;4,8-dichloro-[1,2,4]triazolo[4,3-a]quinoxaline;diethoxymethoxyethane;diethyl oxalate;hydrazine;phosphoryl trichloride;2,3,6-trichloroquinoxaline;2,2,2-trifluoroacetic acid?

The canonical SMILES for 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-dihydroquinoxaline-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)hydrazine;4,8-dichloro-[1,2,4]triazolo[4,3-a]quinoxaline;diethoxymethoxyethane;diethyl oxalate;hydrazine;phosphoryl trichloride;2,3,6-trichloroquinoxaline;2,2,2-trifluoroacetic acid is CC(C)(C)OC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1.CC(C)(C)OC(=O)N1CC=C(c2nc3ccc(Cl)cc3n3cnnc23)CC1.CCOC(=O)C(=O)OCC.CCOC(OCC)OCC.Clc1ccc2nc(C3=CCNCC3)c3nncn3c2c1.Clc1ccc2nc(Cl)c(Cl)nc2c1.Clc1ccc2nc(Cl)c3nncn3c2c1.NN.NNc1nc2cc(Cl)ccc2nc1Cl.Nc1ccc(Cl)cc1N.O=C(O)C(F)(F)F.O=P(Cl)(Cl)Cl.O=c1[nH]c2ccc(Cl)cc2[nH]c1=O.

What is the InChIKey of 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-dihydroquinoxaline-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)hydrazine;4,8-dichloro-[1,2,4]triazolo[4,3-a]quinoxaline;diethoxymethoxyethane;diethyl oxalate;hydrazine;phosphoryl trichloride;2,3,6-trichloroquinoxaline;2,2,2-trifluoroacetic acid?

The InChIKey is HOUNMRZLVNVGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O2.C16H28BNO4.C14H12ClN5.C9H4Cl2N4.C8H3Cl3N2.C8H6Cl2N4.C8H5ClN2O2.C7H16O3.C6H7ClN2.C6H10O4.C2HF3O2.Cl3OP.H4N2/c1-19(2,3)27-18(26)24-8-6-12(7-9-24)16-17-23-21-11-25(17)15-10-13(20)4-5-14(15)22-16;1-14(2,3)20-13(19)18-10-8-12(9-11-18)17-21-15(4,5)16(6,7)22-17;15-10-1-2-11-12(7-10)20-8-17-19-14(20)13(18-11)9-3-5-16-6-4-9;10-5-1-2-6-7(3-5)15-4-12-14-9(15)8(11)13-6;9-4-1-2-5-6(3-4)13-8(11)7(10)12-5;9-4-1-2-5-6(3-4)13-8(14-11)7(10)12-5;9-4-1-2-5-6(3-4)11-8(13)7(12)10-5;1-4-8-7(9-5-2)10-6-3;7-4-1-2-5(8)6(9)3-4;1-3-9-5(7)6(8)10-4-2;3-2(4,5)1(6)7;1-5(2,3)4;1-2/h4-6,10-11H,7-9H2,1-3H3;8H,9-11H2,1-7H3;1-3,7-8,16H,4-6H2;1-4H;1-3H;1-3H,11H2,(H,13,14);1-3H,(H,10,12)(H,11,13);7H,4-6H2,1-3H3;1-3H,8-9H2;3-4H2,1-2H3;(H,6,7);;1-2H2.

What are the key properties of 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-dihydroquinoxaline-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)hydrazine;4,8-dichloro-[1,2,4]triazolo[4,3-a]quinoxaline;diethoxymethoxyethane;diethyl oxalate;hydrazine;phosphoryl trichloride;2,3,6-trichloroquinoxaline;2,2,2-trifluoroacetic acid?

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-dihydroquinoxaline-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)hydrazine;4,8-dichloro-[1,2,4]triazolo[4,3-a]quinoxaline;diethoxymethoxyethane;diethyl oxalate;hydrazine;phosphoryl trichloride;2,3,6-trichloroquinoxaline;2,2,2-trifluoroacetic acid has a molecular weight of 2615.35 g/mol, XLogP of 23.97, 12 rotatable bonds, 10 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 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-dihydroquinoxaline-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)hydrazine;4,8-dichloro-[1,2,4]triazolo[4,3-a]quinoxaline;diethoxymethoxyethane;diethyl oxalate;hydrazine;phosphoryl trichloride;2,3,6-trichloroquinoxaline;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 159892900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).