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

C89H96BBr2ClN18O8 — CID 158759779

About 6-bromo-2-chloroquinoxaline;6-bromo-N-[(1R)-1-(3-methoxyphenyl)ethyl]quinoxalin-2-amine;tert-butyl 4-[2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]quinoxalin-6-yl]pyrazole-1-carboxylate;(1R)-1-(3-methoxyphenyl)ethanamine;N-[(1R)-1-(3-methoxyphenyl)ethyl]-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-2-chloroquinoxaline;6-bromo-N-[(1R)-1-(3-methoxyphenyl)ethyl]quinoxalin-2-amine;tert-butyl 4-[2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]quinoxalin-6-yl]pyrazole-1-carboxylate;(1R)-1-(3-methoxyphenyl)ethanamine;N-[(1R)-1-(3-methoxyphenyl)ethyl]-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 158759779) has the molecular formula C89H96BBr2ClN18O8 and a molecular weight of 1751.94 g/mol. Its IUPAC name is 6-bromo-2-chloroquinoxaline;6-bromo-N-[(1R)-1-(3-methoxyphenyl)ethyl]quinoxalin-2-amine;tert-butyl 4-[2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]quinoxalin-6-yl]pyrazole-1-carboxylate;(1R)-1-(3-methoxyphenyl)ethanamine;N-[(1R)-1-(3-methoxyphenyl)ethyl]-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-2-chloroquinoxaline;6-bromo-N-[(1R)-1-(3-methoxyphenyl)ethyl]quinoxalin-2-amine;tert-butyl 4-[2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]quinoxalin-6-yl]pyrazole-1-carboxylate;(1R)-1-(3-methoxyphenyl)ethanamine;N-[(1R)-1-(3-methoxyphenyl)ethyl]-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: 158759779
• Molecular Formula: C89H96BBr2ClN18O8
• Molecular Weight: 1751.94 g/mol
• Exact Mass: 1748.58
• IUPAC Name: 6-bromo-2-chloroquinoxaline;6-bromo-N-[(1R)-1-(3-methoxyphenyl)ethyl]quinoxalin-2-amine;tert-butyl 4-[2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]quinoxalin-6-yl]pyrazole-1-carboxylate;(1R)-1-(3-methoxyphenyl)ethanamine;N-[(1R)-1-(3-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)quinoxalin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
• SMILES: COc1cccc([C@@H](C)N)c1.COc1cccc([C@@H](C)Nc2cnc3cc(-c4cn[nH]c4)ccc3n2)c1.COc1cccc([C@@H](C)Nc2cnc3cc(-c4cnn(C(=O)OC(C)(C)C)c4)ccc3n2)c1.COc1cccc([C@@H](C)Nc2cnc3cc(Br)ccc3n2)c1.Clc1cnc2cc(Br)ccc2n1.Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1
• InChI: InChI=1S/C25H27N5O3.C20H19N5O.C17H16BrN3O.C10H17BN2O2.C9H13NO.C8H4BrClN2/c1-16(17-7-6-8-20(11-17)32-5)28-23-14-26-22-12-18(9-10-21(22)29-23)19-13-27-30(15-19)24(31)33-25(2,3)4;1-13(14-4-3-5-17(8-14)26-2)24-20-12-21-19-9-15(6-7-18(19)25-20)16-10-22-23-11-16;1-11(12-4-3-5-14(8-12)22-2)20-17-10-19-16-9-13(18)6-7-15(16)21-17;1-9(2)10(3,4)15-11(14-9)8-6-12-13(5)7-8;1-7(10)8-4-3-5-9(6-8)11-2;9-5-1-2-6-7(3-5)11-4-8(10)12-6/h6-16H,1-5H3,(H,28,29);3-13H,1-2H3,(H,22,23)(H,24,25);3-11H,1-2H3,(H,20,21);6-7H,1-5H3;3-7H,10H2,1-2H3;1-4H/t16-;13-;11-;;7-;/m111.1./s1
• InChIKey: IONBXFXMWKXOJO-NVEIHHLNSA-N
• XLogP: 19.71
• TPSA: 311.23 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 25
• Rotatable Bonds: 17
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1751.94
LogP ≤ 5	19.71
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-chloroquinoxaline;6-bromo-N-[(1R)-1-(3-methoxyphenyl)ethyl]quinoxalin-2-amine;tert-butyl 4-[2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]quinoxalin-6-yl]pyrazole-1-carboxylate;(1R)-1-(3-methoxyphenyl)ethanamine;N-[(1R)-1-(3-methoxyphenyl)ethyl]-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-2-chloroquinoxaline;6-bromo-N-[(1R)-1-(3-methoxyphenyl)ethyl]quinoxalin-2-amine;tert-butyl 4-[2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]quinoxalin-6-yl]pyrazole-1-carboxylate;(1R)-1-(3-methoxyphenyl)ethanamine;N-[(1R)-1-(3-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)quinoxalin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole (CID 158759779) is 6-bromo-2-chloroquinoxaline;6-bromo-N-[(1R)-1-(3-methoxyphenyl)ethyl]quinoxalin-2-amine;tert-butyl 4-[2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]quinoxalin-6-yl]pyrazole-1-carboxylate;(1R)-1-(3-methoxyphenyl)ethanamine;N-[(1R)-1-(3-methoxyphenyl)ethyl]-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-2-chloroquinoxaline;6-bromo-N-[(1R)-1-(3-methoxyphenyl)ethyl]quinoxalin-2-amine;tert-butyl 4-[2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]quinoxalin-6-yl]pyrazole-1-carboxylate;(1R)-1-(3-methoxyphenyl)ethanamine;N-[(1R)-1-(3-methoxyphenyl)ethyl]-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-2-chloroquinoxaline;6-bromo-N-[(1R)-1-(3-methoxyphenyl)ethyl]quinoxalin-2-amine;tert-butyl 4-[2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]quinoxalin-6-yl]pyrazole-1-carboxylate;(1R)-1-(3-methoxyphenyl)ethanamine;N-[(1R)-1-(3-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)quinoxalin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole is COc1cccc([C@@H](C)N)c1.COc1cccc([C@@H](C)Nc2cnc3cc(-c4cn[nH]c4)ccc3n2)c1.COc1cccc([C@@H](C)Nc2cnc3cc(-c4cnn(C(=O)OC(C)(C)C)c4)ccc3n2)c1.COc1cccc([C@@H](C)Nc2cnc3cc(Br)ccc3n2)c1.Clc1cnc2cc(Br)ccc2n1.Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1.

What is the InChIKey of 6-bromo-2-chloroquinoxaline;6-bromo-N-[(1R)-1-(3-methoxyphenyl)ethyl]quinoxalin-2-amine;tert-butyl 4-[2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]quinoxalin-6-yl]pyrazole-1-carboxylate;(1R)-1-(3-methoxyphenyl)ethanamine;N-[(1R)-1-(3-methoxyphenyl)ethyl]-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 IONBXFXMWKXOJO-NVEIHHLNSA-N. The full InChI is InChI=1S/C25H27N5O3.C20H19N5O.C17H16BrN3O.C10H17BN2O2.C9H13NO.C8H4BrClN2/c1-16(17-7-6-8-20(11-17)32-5)28-23-14-26-22-12-18(9-10-21(22)29-23)19-13-27-30(15-19)24(31)33-25(2,3)4;1-13(14-4-3-5-17(8-14)26-2)24-20-12-21-19-9-15(6-7-18(19)25-20)16-10-22-23-11-16;1-11(12-4-3-5-14(8-12)22-2)20-17-10-19-16-9-13(18)6-7-15(16)21-17;1-9(2)10(3,4)15-11(14-9)8-6-12-13(5)7-8;1-7(10)8-4-3-5-9(6-8)11-2;9-5-1-2-6-7(3-5)11-4-8(10)12-6/h6-16H,1-5H3,(H,28,29);3-13H,1-2H3,(H,22,23)(H,24,25);3-11H,1-2H3,(H,20,21);6-7H,1-5H3;3-7H,10H2,1-2H3;1-4H/t16-;13-;11-;;7-;/m111.1./s1.

What are the key properties of 6-bromo-2-chloroquinoxaline;6-bromo-N-[(1R)-1-(3-methoxyphenyl)ethyl]quinoxalin-2-amine;tert-butyl 4-[2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]quinoxalin-6-yl]pyrazole-1-carboxylate;(1R)-1-(3-methoxyphenyl)ethanamine;N-[(1R)-1-(3-methoxyphenyl)ethyl]-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-2-chloroquinoxaline;6-bromo-N-[(1R)-1-(3-methoxyphenyl)ethyl]quinoxalin-2-amine;tert-butyl 4-[2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]quinoxalin-6-yl]pyrazole-1-carboxylate;(1R)-1-(3-methoxyphenyl)ethanamine;N-[(1R)-1-(3-methoxyphenyl)ethyl]-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 1751.94 g/mol, XLogP of 19.71, 17 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-2-chloroquinoxaline;6-bromo-N-[(1R)-1-(3-methoxyphenyl)ethyl]quinoxalin-2-amine;tert-butyl 4-[2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]quinoxalin-6-yl]pyrazole-1-carboxylate;(1R)-1-(3-methoxyphenyl)ethanamine;N-[(1R)-1-(3-methoxyphenyl)ethyl]-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 158759779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).