8-bromo-N-tert-butyl-3-ethylquinoxalin-2-amine;5-bromo-3-chloro-2-ethylquinoxaline;5-bromo-3-chloro-2-methylquinoxaline;2-[3-(tert-butylamino)-2-ethylquinoxalin-5-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

C67H76BBr3Cl2N14O4 — CID 157225112

About 8-bromo-N-tert-butyl-3-ethylquinoxalin-2-amine;5-bromo-3-chloro-2-ethylquinoxaline;5-bromo-3-chloro-2-methylquinoxaline;2-[3-(tert-butylamino)-2-ethylquinoxalin-5-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

8-bromo-N-tert-butyl-3-ethylquinoxalin-2-amine;5-bromo-3-chloro-2-ethylquinoxaline;5-bromo-3-chloro-2-methylquinoxaline;2-[3-(tert-butylamino)-2-ethylquinoxalin-5-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (PubChem CID 157225112) has the molecular formula C67H76BBr3Cl2N14O4 and a molecular weight of 1462.87 g/mol. Its IUPAC name is 8-bromo-N-tert-butyl-3-ethylquinoxalin-2-amine;5-bromo-3-chloro-2-ethylquinoxaline;5-bromo-3-chloro-2-methylquinoxaline;2-[3-(tert-butylamino)-2-ethylquinoxalin-5-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

• Compound Name: 8-bromo-N-tert-butyl-3-ethylquinoxalin-2-amine;5-bromo-3-chloro-2-ethylquinoxaline;5-bromo-3-chloro-2-methylquinoxaline;2-[3-(tert-butylamino)-2-ethylquinoxalin-5-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
• PubChem CID: 157225112
• Molecular Formula: C67H76BBr3Cl2N14O4
• Molecular Weight: 1462.87 g/mol
• Exact Mass: 1458.32
• IUPAC Name: 8-bromo-N-tert-butyl-3-ethylquinoxalin-2-amine;5-bromo-3-chloro-2-ethylquinoxaline;5-bromo-3-chloro-2-methylquinoxaline;2-[3-(tert-butylamino)-2-ethylquinoxalin-5-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
• SMILES: CC1(C)OB(c2cc3c([nH]2)CCNC3=O)OC1(C)C.CCc1nc2cccc(-c3cc4c([nH]3)CCNC4=O)c2nc1NC(C)(C)C.CCc1nc2cccc(Br)c2nc1Cl.CCc1nc2cccc(Br)c2nc1NC(C)(C)C.Cc1nc2cccc(Br)c2nc1Cl
• InChI: InChI=1S/C21H25N5O.C14H18BrN3.C13H19BN2O3.C10H8BrClN2.C9H6BrClN2/c1-5-14-19(26-21(2,3)4)25-18-12(7-6-8-16(18)23-14)17-11-13-15(24-17)9-10-22-20(13)27;1-5-10-13(18-14(2,3)4)17-12-9(15)7-6-8-11(12)16-10;1-12(2)13(3,4)19-14(18-12)10-7-8-9(16-10)5-6-15-11(8)17;1-2-7-10(12)14-9-6(11)4-3-5-8(9)13-7;1-5-9(11)13-8-6(10)3-2-4-7(8)12-5/h6-8,11,24H,5,9-10H2,1-4H3,(H,22,27)(H,25,26);6-8H,5H2,1-4H3,(H,17,18);7,16H,5-6H2,1-4H3,(H,15,17);3-5H,2H2,1H3;2-4H,1H3
• InChIKey: ATLGJIMMCJPGSF-UHFFFAOYSA-N
• XLogP: 15.41
• TPSA: 235.42 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 14
• Rotatable Bonds: 7
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1462.87
LogP ≤ 5	15.41
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-bromo-N-tert-butyl-3-ethylquinoxalin-2-amine;5-bromo-3-chloro-2-ethylquinoxaline;5-bromo-3-chloro-2-methylquinoxaline;2-[3-(tert-butylamino)-2-ethylquinoxalin-5-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?

The IUPAC name of 8-bromo-N-tert-butyl-3-ethylquinoxalin-2-amine;5-bromo-3-chloro-2-ethylquinoxaline;5-bromo-3-chloro-2-methylquinoxaline;2-[3-(tert-butylamino)-2-ethylquinoxalin-5-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (CID 157225112) is 8-bromo-N-tert-butyl-3-ethylquinoxalin-2-amine;5-bromo-3-chloro-2-ethylquinoxaline;5-bromo-3-chloro-2-methylquinoxaline;2-[3-(tert-butylamino)-2-ethylquinoxalin-5-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.

What is the SMILES notation for 8-bromo-N-tert-butyl-3-ethylquinoxalin-2-amine;5-bromo-3-chloro-2-ethylquinoxaline;5-bromo-3-chloro-2-methylquinoxaline;2-[3-(tert-butylamino)-2-ethylquinoxalin-5-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?

The canonical SMILES for 8-bromo-N-tert-butyl-3-ethylquinoxalin-2-amine;5-bromo-3-chloro-2-ethylquinoxaline;5-bromo-3-chloro-2-methylquinoxaline;2-[3-(tert-butylamino)-2-ethylquinoxalin-5-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is CC1(C)OB(c2cc3c([nH]2)CCNC3=O)OC1(C)C.CCc1nc2cccc(-c3cc4c([nH]3)CCNC4=O)c2nc1NC(C)(C)C.CCc1nc2cccc(Br)c2nc1Cl.CCc1nc2cccc(Br)c2nc1NC(C)(C)C.Cc1nc2cccc(Br)c2nc1Cl.

What is the InChIKey of 8-bromo-N-tert-butyl-3-ethylquinoxalin-2-amine;5-bromo-3-chloro-2-ethylquinoxaline;5-bromo-3-chloro-2-methylquinoxaline;2-[3-(tert-butylamino)-2-ethylquinoxalin-5-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?

The InChIKey is ATLGJIMMCJPGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O.C14H18BrN3.C13H19BN2O3.C10H8BrClN2.C9H6BrClN2/c1-5-14-19(26-21(2,3)4)25-18-12(7-6-8-16(18)23-14)17-11-13-15(24-17)9-10-22-20(13)27;1-5-10-13(18-14(2,3)4)17-12-9(15)7-6-8-11(12)16-10;1-12(2)13(3,4)19-14(18-12)10-7-8-9(16-10)5-6-15-11(8)17;1-2-7-10(12)14-9-6(11)4-3-5-8(9)13-7;1-5-9(11)13-8-6(10)3-2-4-7(8)12-5/h6-8,11,24H,5,9-10H2,1-4H3,(H,22,27)(H,25,26);6-8H,5H2,1-4H3,(H,17,18);7,16H,5-6H2,1-4H3,(H,15,17);3-5H,2H2,1H3;2-4H,1H3.

What are the key properties of 8-bromo-N-tert-butyl-3-ethylquinoxalin-2-amine;5-bromo-3-chloro-2-ethylquinoxaline;5-bromo-3-chloro-2-methylquinoxaline;2-[3-(tert-butylamino)-2-ethylquinoxalin-5-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?

8-bromo-N-tert-butyl-3-ethylquinoxalin-2-amine;5-bromo-3-chloro-2-ethylquinoxaline;5-bromo-3-chloro-2-methylquinoxaline;2-[3-(tert-butylamino)-2-ethylquinoxalin-5-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one has a molecular weight of 1462.87 g/mol, XLogP of 15.41, 7 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 8-bromo-N-tert-butyl-3-ethylquinoxalin-2-amine;5-bromo-3-chloro-2-ethylquinoxaline;5-bromo-3-chloro-2-methylquinoxaline;2-[3-(tert-butylamino)-2-ethylquinoxalin-5-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 157225112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).