6-bromo-N-methyl-N-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]quinoxalin-2-amine;6-bromo-N-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]quinoxalin-2-amine;tert-butyl 4-[2-[methyl-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]amino]quinoxalin-6-yl]pyrazole-1-carboxylate;N-methyl-N-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-6-(1H-pyrazol-4-yl)quinoxalin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole

C104H125BBr2N26O4 — CID 161270144

About 6-bromo-N-methyl-N-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]quinoxalin-2-amine;6-bromo-N-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]quinoxalin-2-amine;tert-butyl 4-[2-[methyl-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]amino]quinoxalin-6-yl]pyrazole-1-carboxylate;N-methyl-N-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-6-(1H-pyrazol-4-yl)quinoxalin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole

6-bromo-N-methyl-N-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]quinoxalin-2-amine;6-bromo-N-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]quinoxalin-2-amine;tert-butyl 4-[2-[methyl-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]amino]quinoxalin-6-yl]pyrazole-1-carboxylate;N-methyl-N-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-6-(1H-pyrazol-4-yl)quinoxalin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole (PubChem CID 161270144) has the molecular formula C104H125BBr2N26O4 and a molecular weight of 1973.94 g/mol. Its IUPAC name is 6-bromo-N-methyl-N-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]quinoxalin-2-amine;6-bromo-N-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]quinoxalin-2-amine;tert-butyl 4-[2-[methyl-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]amino]quinoxalin-6-yl]pyrazole-1-carboxylate;N-methyl-N-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-6-(1H-pyrazol-4-yl)quinoxalin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole.

Molecular Properties

• Compound Name: 6-bromo-N-methyl-N-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]quinoxalin-2-amine;6-bromo-N-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]quinoxalin-2-amine;tert-butyl 4-[2-[methyl-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]amino]quinoxalin-6-yl]pyrazole-1-carboxylate;N-methyl-N-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-6-(1H-pyrazol-4-yl)quinoxalin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
• PubChem CID: 161270144
• Molecular Formula: C104H125BBr2N26O4
• Molecular Weight: 1973.94 g/mol
• Exact Mass: 1970.88
• IUPAC Name: 6-bromo-N-methyl-N-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]quinoxalin-2-amine;6-bromo-N-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]quinoxalin-2-amine;tert-butyl 4-[2-[methyl-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]amino]quinoxalin-6-yl]pyrazole-1-carboxylate;N-methyl-N-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-6-(1H-pyrazol-4-yl)quinoxalin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
• SMILES: CN1CCN(c2cccc(CN(C)c3cnc4cc(-c5cn[nH]c5)ccc4n3)c2)CC1.CN1CCN(c2cccc(CN(C)c3cnc4cc(-c5cnn(C(=O)OC(C)(C)C)c5)ccc4n3)c2)CC1.CN1CCN(c2cccc(CN(C)c3cnc4cc(Br)ccc4n3)c2)CC1.CN1CCN(c2cccc(CNc3cnc4cc(Br)ccc4n3)c2)CC1.Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1
• InChI: InChI=1S/C29H35N7O2.C24H27N7.C21H24BrN5.C20H22BrN5.C10H17BN2O2/c1-29(2,3)38-28(37)36-20-23(17-31-36)22-9-10-25-26(16-22)30-18-27(32-25)34(5)19-21-7-6-8-24(15-21)35-13-11-33(4)12-14-35;1-29-8-10-31(11-9-29)21-5-3-4-18(12-21)17-30(2)24-16-25-23-13-19(6-7-22(23)28-24)20-14-26-27-15-20;1-25-8-10-27(11-9-25)18-5-3-4-16(12-18)15-26(2)21-14-23-20-13-17(22)6-7-19(20)24-21;1-25-7-9-26(10-8-25)17-4-2-3-15(11-17)13-23-20-14-22-19-12-16(21)5-6-18(19)24-20;1-9(2)10(3,4)15-11(14-9)8-6-12-13(5)7-8/h6-10,15-18,20H,11-14,19H2,1-5H3;3-7,12-16H,8-11,17H2,1-2H3,(H,26,27);3-7,12-14H,8-11,15H2,1-2H3;2-6,11-12,14H,7-10,13H2,1H3,(H,23,24);6-7H,1-5H3
• InChIKey: VDRXGOPIUVRWAQ-UHFFFAOYSA-N
• XLogP: 16.33
• TPSA: 259.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 29
• Rotatable Bonds: 19
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1973.94
LogP ≤ 5	16.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-methyl-N-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]quinoxalin-2-amine;6-bromo-N-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]quinoxalin-2-amine;tert-butyl 4-[2-[methyl-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]amino]quinoxalin-6-yl]pyrazole-1-carboxylate;N-methyl-N-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-6-(1H-pyrazol-4-yl)quinoxalin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

The IUPAC name of 6-bromo-N-methyl-N-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]quinoxalin-2-amine;6-bromo-N-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]quinoxalin-2-amine;tert-butyl 4-[2-[methyl-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]amino]quinoxalin-6-yl]pyrazole-1-carboxylate;N-methyl-N-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-6-(1H-pyrazol-4-yl)quinoxalin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole (CID 161270144) is 6-bromo-N-methyl-N-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]quinoxalin-2-amine;6-bromo-N-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]quinoxalin-2-amine;tert-butyl 4-[2-[methyl-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]amino]quinoxalin-6-yl]pyrazole-1-carboxylate;N-methyl-N-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-6-(1H-pyrazol-4-yl)quinoxalin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole.

What is the SMILES notation for 6-bromo-N-methyl-N-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]quinoxalin-2-amine;6-bromo-N-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]quinoxalin-2-amine;tert-butyl 4-[2-[methyl-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]amino]quinoxalin-6-yl]pyrazole-1-carboxylate;N-methyl-N-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-6-(1H-pyrazol-4-yl)quinoxalin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

The canonical SMILES for 6-bromo-N-methyl-N-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]quinoxalin-2-amine;6-bromo-N-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]quinoxalin-2-amine;tert-butyl 4-[2-[methyl-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]amino]quinoxalin-6-yl]pyrazole-1-carboxylate;N-methyl-N-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-6-(1H-pyrazol-4-yl)quinoxalin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole is CN1CCN(c2cccc(CN(C)c3cnc4cc(-c5cn[nH]c5)ccc4n3)c2)CC1.CN1CCN(c2cccc(CN(C)c3cnc4cc(-c5cnn(C(=O)OC(C)(C)C)c5)ccc4n3)c2)CC1.CN1CCN(c2cccc(CN(C)c3cnc4cc(Br)ccc4n3)c2)CC1.CN1CCN(c2cccc(CNc3cnc4cc(Br)ccc4n3)c2)CC1.Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1.

What is the InChIKey of 6-bromo-N-methyl-N-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]quinoxalin-2-amine;6-bromo-N-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]quinoxalin-2-amine;tert-butyl 4-[2-[methyl-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]amino]quinoxalin-6-yl]pyrazole-1-carboxylate;N-methyl-N-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-6-(1H-pyrazol-4-yl)quinoxalin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

The InChIKey is VDRXGOPIUVRWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N7O2.C24H27N7.C21H24BrN5.C20H22BrN5.C10H17BN2O2/c1-29(2,3)38-28(37)36-20-23(17-31-36)22-9-10-25-26(16-22)30-18-27(32-25)34(5)19-21-7-6-8-24(15-21)35-13-11-33(4)12-14-35;1-29-8-10-31(11-9-29)21-5-3-4-18(12-21)17-30(2)24-16-25-23-13-19(6-7-22(23)28-24)20-14-26-27-15-20;1-25-8-10-27(11-9-25)18-5-3-4-16(12-18)15-26(2)21-14-23-20-13-17(22)6-7-19(20)24-21;1-25-7-9-26(10-8-25)17-4-2-3-15(11-17)13-23-20-14-22-19-12-16(21)5-6-18(19)24-20;1-9(2)10(3,4)15-11(14-9)8-6-12-13(5)7-8/h6-10,15-18,20H,11-14,19H2,1-5H3;3-7,12-16H,8-11,17H2,1-2H3,(H,26,27);3-7,12-14H,8-11,15H2,1-2H3;2-6,11-12,14H,7-10,13H2,1H3,(H,23,24);6-7H,1-5H3.

What are the key properties of 6-bromo-N-methyl-N-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]quinoxalin-2-amine;6-bromo-N-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]quinoxalin-2-amine;tert-butyl 4-[2-[methyl-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]amino]quinoxalin-6-yl]pyrazole-1-carboxylate;N-methyl-N-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-6-(1H-pyrazol-4-yl)quinoxalin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

6-bromo-N-methyl-N-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]quinoxalin-2-amine;6-bromo-N-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]quinoxalin-2-amine;tert-butyl 4-[2-[methyl-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]amino]quinoxalin-6-yl]pyrazole-1-carboxylate;N-methyl-N-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-6-(1H-pyrazol-4-yl)quinoxalin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole has a molecular weight of 1973.94 g/mol, XLogP of 16.33, 19 rotatable bonds, 2 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-N-methyl-N-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]quinoxalin-2-amine;6-bromo-N-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]quinoxalin-2-amine;tert-butyl 4-[2-[methyl-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]amino]quinoxalin-6-yl]pyrazole-1-carboxylate;N-methyl-N-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-6-(1H-pyrazol-4-yl)quinoxalin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole is sourced from PubChem (CID 161270144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).