dipotassium;acetic acid;8-bromo-1-chloro-3-methylimidazo[1,5-a]quinoxaline;4-bromo-2-fluoro-1-nitrobenzene;8-bromo-3-methylimidazo[1,5-a]quinoxaline;(2S,6R)-4-(8-bromo-3-methylimidazo[1,5-a]quinoxalin-1-yl)-2,6-dimethylmorpholine;4-bromo-2-(4-methylimidazol-1-yl)aniline;1-(5-bromo-2-nitrophenyl)-4-methylimidazole;(2S,6R)-2,6-dimethylmorpholine;N-[5-[1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylimidazo[1,5-a]quinoxalin-8-yl]-2-pyridinyl]-N',N'-dimethylpropane-1,3-diamine;N',N'-dimethyl-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propane-1,3-diamine;hydride;methane;5-methyl-1H-imidazole;oxido formate

C124H155BBr6ClFK2N30O14 — CID 167587654

About dipotassium;acetic acid;8-bromo-1-chloro-3-methylimidazo[1,5-a]quinoxaline;4-bromo-2-fluoro-1-nitrobenzene;8-bromo-3-methylimidazo[1,5-a]quinoxaline;(2S,6R)-4-(8-bromo-3-methylimidazo[1,5-a]quinoxalin-1-yl)-2,6-dimethylmorpholine;4-bromo-2-(4-methylimidazol-1-yl)aniline;1-(5-bromo-2-nitrophenyl)-4-methylimidazole;(2S,6R)-2,6-dimethylmorpholine;N-[5-[1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylimidazo[1,5-a]quinoxalin-8-yl]-2-pyridinyl]-N',N'-dimethylpropane-1,3-diamine;N',N'-dimethyl-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propane-1,3-diamine;hydride;methane;5-methyl-1H-imidazole;oxido formate

dipotassium;acetic acid;8-bromo-1-chloro-3-methylimidazo[1,5-a]quinoxaline;4-bromo-2-fluoro-1-nitrobenzene;8-bromo-3-methylimidazo[1,5-a]quinoxaline;(2S,6R)-4-(8-bromo-3-methylimidazo[1,5-a]quinoxalin-1-yl)-2,6-dimethylmorpholine;4-bromo-2-(4-methylimidazol-1-yl)aniline;1-(5-bromo-2-nitrophenyl)-4-methylimidazole;(2S,6R)-2,6-dimethylmorpholine;N-[5-[1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylimidazo[1,5-a]quinoxalin-8-yl]-2-pyridinyl]-N',N'-dimethylpropane-1,3-diamine;N',N'-dimethyl-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propane-1,3-diamine;hydride;methane;5-methyl-1H-imidazole;oxido formate (PubChem CID 167587654) has the molecular formula C124H155BBr6ClFK2N30O14 and a molecular weight of 2912.68 g/mol. Its IUPAC name is dipotassium;acetic acid;8-bromo-1-chloro-3-methylimidazo[1,5-a]quinoxaline;4-bromo-2-fluoro-1-nitrobenzene;8-bromo-3-methylimidazo[1,5-a]quinoxaline;(2S,6R)-4-(8-bromo-3-methylimidazo[1,5-a]quinoxalin-1-yl)-2,6-dimethylmorpholine;4-bromo-2-(4-methylimidazol-1-yl)aniline;1-(5-bromo-2-nitrophenyl)-4-methylimidazole;(2S,6R)-2,6-dimethylmorpholine;N-[5-[1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylimidazo[1,5-a]quinoxalin-8-yl]-2-pyridinyl]-N',N'-dimethylpropane-1,3-diamine;N',N'-dimethyl-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propane-1,3-diamine;hydride;methane;5-methyl-1H-imidazole;oxido formate.

Molecular Properties

• Compound Name: dipotassium;acetic acid;8-bromo-1-chloro-3-methylimidazo[1,5-a]quinoxaline;4-bromo-2-fluoro-1-nitrobenzene;8-bromo-3-methylimidazo[1,5-a]quinoxaline;(2S,6R)-4-(8-bromo-3-methylimidazo[1,5-a]quinoxalin-1-yl)-2,6-dimethylmorpholine;4-bromo-2-(4-methylimidazol-1-yl)aniline;1-(5-bromo-2-nitrophenyl)-4-methylimidazole;(2S,6R)-2,6-dimethylmorpholine;N-[5-[1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylimidazo[1,5-a]quinoxalin-8-yl]-2-pyridinyl]-N',N'-dimethylpropane-1,3-diamine;N',N'-dimethyl-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propane-1,3-diamine;hydride;methane;5-methyl-1H-imidazole;oxido formate
• PubChem CID: 167587654
• Molecular Formula: C124H155BBr6ClFK2N30O14
• Molecular Weight: 2912.68 g/mol
• Exact Mass: 2904.65
• IUPAC Name: dipotassium;acetic acid;8-bromo-1-chloro-3-methylimidazo[1,5-a]quinoxaline;4-bromo-2-fluoro-1-nitrobenzene;8-bromo-3-methylimidazo[1,5-a]quinoxaline;(2S,6R)-4-(8-bromo-3-methylimidazo[1,5-a]quinoxalin-1-yl)-2,6-dimethylmorpholine;4-bromo-2-(4-methylimidazol-1-yl)aniline;1-(5-bromo-2-nitrophenyl)-4-methylimidazole;(2S,6R)-2,6-dimethylmorpholine;N-[5-[1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylimidazo[1,5-a]quinoxalin-8-yl]-2-pyridinyl]-N',N'-dimethylpropane-1,3-diamine;N',N'-dimethyl-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propane-1,3-diamine;hydride;methane;5-methyl-1H-imidazole;oxido formate
• SMILES: C.C.C.CC(=O)O.CN(C)CCCNc1ccc(B2OC(C)(C)C(C)(C)O2)cn1.C[C@@H]1CNC[C@H](C)O1.Cc1cn(-c2cc(Br)ccc2N)cn1.Cc1cn(-c2cc(Br)ccc2[N+](=O)[O-])cn1.Cc1cnc[nH]1.Cc1nc(Cl)n2c1cnc1ccc(Br)cc12.Cc1nc(N2C[C@@H](C)O[C@@H](C)C2)n2c1cnc1ccc(-c3ccc(NCCCN(C)C)nc3)cc12.Cc1nc(N2C[C@@H](C)O[C@@H](C)C2)n2c1cnc1ccc(Br)cc12.Cc1ncn2c1cnc1ccc(Br)cc12.O=CO[O-].O=[N+]([O-])c1ccc(Br)cc1F.[H-].[K+].[K+]
• InChI: InChI=1S/C27H35N7O.C17H19BrN4O.C16H28BN3O2.C11H7BrClN3.C11H8BrN3.C10H8BrN3O2.C10H10BrN3.C6H3BrFNO2.C6H13NO.C4H6N2.C2H4O2.CH2O3.3CH4.2K.H/c1-18-16-33(17-19(2)35-18)27-31-20(3)25-15-29-23-9-7-21(13-24(23)34(25)27)22-8-10-26(30-14-22)28-11-6-12-32(4)5;1-10-8-21(9-11(2)23-10)17-20-12(3)16-7-19-14-5-4-13(18)6-15(14)22(16)17;1-15(2)16(3,4)22-17(21-15)13-8-9-14(19-12-13)18-10-7-11-20(5)6;1-6-10-5-14-8-3-2-7(12)4-9(8)16(10)11(13)15-6;1-7-11-5-13-9-3-2-8(12)4-10(9)15(11)6-14-7;1-7-5-13(6-12-7)10-4-8(11)2-3-9(10)14(15)16;1-7-5-14(6-13-7)10-4-8(11)2-3-9(10)12;7-4-1-2-6(9(10)11)5(8)3-4;1-5-3-7-4-6(2)8-5;1-4-2-5-3-6-4;1-2(3)4;2-1-4-3;;;;;;/h7-10,13-15,18-19H,6,11-12,16-17H2,1-5H3,(H,28,30);4-7,10-11H,8-9H2,1-3H3;8-9,12H,7,10-11H2,1-6H3,(H,18,19);2-5H,1H3;2-6H,1H3;2-6H,1H3;2-6H,12H2,1H3;1-3H;5-7H,3-4H2,1-2H3;2-3H,1H3,(H,5,6);1H3,(H,3,4);1,3H;3*1H4;;;/q;;;;;;;;;;;;;;;2*+1;-1/p-1/t18-,19+;10-,11+;;;;;;;5-,6+
• InChIKey: PMMCJJWGROTLQQ-IIMRAUIISA-M
• XLogP: 19.63
• TPSA: 505.02 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 40
• Rotatable Bonds: 19
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2912.68
LogP ≤ 5	19.63
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dipotassium;acetic acid;8-bromo-1-chloro-3-methylimidazo[1,5-a]quinoxaline;4-bromo-2-fluoro-1-nitrobenzene;8-bromo-3-methylimidazo[1,5-a]quinoxaline;(2S,6R)-4-(8-bromo-3-methylimidazo[1,5-a]quinoxalin-1-yl)-2,6-dimethylmorpholine;4-bromo-2-(4-methylimidazol-1-yl)aniline;1-(5-bromo-2-nitrophenyl)-4-methylimidazole;(2S,6R)-2,6-dimethylmorpholine;N-[5-[1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylimidazo[1,5-a]quinoxalin-8-yl]-2-pyridinyl]-N',N'-dimethylpropane-1,3-diamine;N',N'-dimethyl-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propane-1,3-diamine;hydride;methane;5-methyl-1H-imidazole;oxido formate?

The IUPAC name of dipotassium;acetic acid;8-bromo-1-chloro-3-methylimidazo[1,5-a]quinoxaline;4-bromo-2-fluoro-1-nitrobenzene;8-bromo-3-methylimidazo[1,5-a]quinoxaline;(2S,6R)-4-(8-bromo-3-methylimidazo[1,5-a]quinoxalin-1-yl)-2,6-dimethylmorpholine;4-bromo-2-(4-methylimidazol-1-yl)aniline;1-(5-bromo-2-nitrophenyl)-4-methylimidazole;(2S,6R)-2,6-dimethylmorpholine;N-[5-[1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylimidazo[1,5-a]quinoxalin-8-yl]-2-pyridinyl]-N',N'-dimethylpropane-1,3-diamine;N',N'-dimethyl-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propane-1,3-diamine;hydride;methane;5-methyl-1H-imidazole;oxido formate (CID 167587654) is dipotassium;acetic acid;8-bromo-1-chloro-3-methylimidazo[1,5-a]quinoxaline;4-bromo-2-fluoro-1-nitrobenzene;8-bromo-3-methylimidazo[1,5-a]quinoxaline;(2S,6R)-4-(8-bromo-3-methylimidazo[1,5-a]quinoxalin-1-yl)-2,6-dimethylmorpholine;4-bromo-2-(4-methylimidazol-1-yl)aniline;1-(5-bromo-2-nitrophenyl)-4-methylimidazole;(2S,6R)-2,6-dimethylmorpholine;N-[5-[1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylimidazo[1,5-a]quinoxalin-8-yl]-2-pyridinyl]-N',N'-dimethylpropane-1,3-diamine;N',N'-dimethyl-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propane-1,3-diamine;hydride;methane;5-methyl-1H-imidazole;oxido formate.

What is the SMILES notation for dipotassium;acetic acid;8-bromo-1-chloro-3-methylimidazo[1,5-a]quinoxaline;4-bromo-2-fluoro-1-nitrobenzene;8-bromo-3-methylimidazo[1,5-a]quinoxaline;(2S,6R)-4-(8-bromo-3-methylimidazo[1,5-a]quinoxalin-1-yl)-2,6-dimethylmorpholine;4-bromo-2-(4-methylimidazol-1-yl)aniline;1-(5-bromo-2-nitrophenyl)-4-methylimidazole;(2S,6R)-2,6-dimethylmorpholine;N-[5-[1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylimidazo[1,5-a]quinoxalin-8-yl]-2-pyridinyl]-N',N'-dimethylpropane-1,3-diamine;N',N'-dimethyl-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propane-1,3-diamine;hydride;methane;5-methyl-1H-imidazole;oxido formate?

The canonical SMILES for dipotassium;acetic acid;8-bromo-1-chloro-3-methylimidazo[1,5-a]quinoxaline;4-bromo-2-fluoro-1-nitrobenzene;8-bromo-3-methylimidazo[1,5-a]quinoxaline;(2S,6R)-4-(8-bromo-3-methylimidazo[1,5-a]quinoxalin-1-yl)-2,6-dimethylmorpholine;4-bromo-2-(4-methylimidazol-1-yl)aniline;1-(5-bromo-2-nitrophenyl)-4-methylimidazole;(2S,6R)-2,6-dimethylmorpholine;N-[5-[1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylimidazo[1,5-a]quinoxalin-8-yl]-2-pyridinyl]-N',N'-dimethylpropane-1,3-diamine;N',N'-dimethyl-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propane-1,3-diamine;hydride;methane;5-methyl-1H-imidazole;oxido formate is C.C.C.CC(=O)O.CN(C)CCCNc1ccc(B2OC(C)(C)C(C)(C)O2)cn1.C[C@@H]1CNC[C@H](C)O1.Cc1cn(-c2cc(Br)ccc2N)cn1.Cc1cn(-c2cc(Br)ccc2[N+](=O)[O-])cn1.Cc1cnc[nH]1.Cc1nc(Cl)n2c1cnc1ccc(Br)cc12.Cc1nc(N2C[C@@H](C)O[C@@H](C)C2)n2c1cnc1ccc(-c3ccc(NCCCN(C)C)nc3)cc12.Cc1nc(N2C[C@@H](C)O[C@@H](C)C2)n2c1cnc1ccc(Br)cc12.Cc1ncn2c1cnc1ccc(Br)cc12.O=CO[O-].O=[N+]([O-])c1ccc(Br)cc1F.[H-].[K+].[K+].

What is the InChIKey of dipotassium;acetic acid;8-bromo-1-chloro-3-methylimidazo[1,5-a]quinoxaline;4-bromo-2-fluoro-1-nitrobenzene;8-bromo-3-methylimidazo[1,5-a]quinoxaline;(2S,6R)-4-(8-bromo-3-methylimidazo[1,5-a]quinoxalin-1-yl)-2,6-dimethylmorpholine;4-bromo-2-(4-methylimidazol-1-yl)aniline;1-(5-bromo-2-nitrophenyl)-4-methylimidazole;(2S,6R)-2,6-dimethylmorpholine;N-[5-[1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylimidazo[1,5-a]quinoxalin-8-yl]-2-pyridinyl]-N',N'-dimethylpropane-1,3-diamine;N',N'-dimethyl-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propane-1,3-diamine;hydride;methane;5-methyl-1H-imidazole;oxido formate?

The InChIKey is PMMCJJWGROTLQQ-IIMRAUIISA-M. The full InChI is InChI=1S/C27H35N7O.C17H19BrN4O.C16H28BN3O2.C11H7BrClN3.C11H8BrN3.C10H8BrN3O2.C10H10BrN3.C6H3BrFNO2.C6H13NO.C4H6N2.C2H4O2.CH2O3.3CH4.2K.H/c1-18-16-33(17-19(2)35-18)27-31-20(3)25-15-29-23-9-7-21(13-24(23)34(25)27)22-8-10-26(30-14-22)28-11-6-12-32(4)5;1-10-8-21(9-11(2)23-10)17-20-12(3)16-7-19-14-5-4-13(18)6-15(14)22(16)17;1-15(2)16(3,4)22-17(21-15)13-8-9-14(19-12-13)18-10-7-11-20(5)6;1-6-10-5-14-8-3-2-7(12)4-9(8)16(10)11(13)15-6;1-7-11-5-13-9-3-2-8(12)4-10(9)15(11)6-14-7;1-7-5-13(6-12-7)10-4-8(11)2-3-9(10)14(15)16;1-7-5-14(6-13-7)10-4-8(11)2-3-9(10)12;7-4-1-2-6(9(10)11)5(8)3-4;1-5-3-7-4-6(2)8-5;1-4-2-5-3-6-4;1-2(3)4;2-1-4-3;;;;;;/h7-10,13-15,18-19H,6,11-12,16-17H2,1-5H3,(H,28,30);4-7,10-11H,8-9H2,1-3H3;8-9,12H,7,10-11H2,1-6H3,(H,18,19);2-5H,1H3;2-6H,1H3;2-6H,1H3;2-6H,12H2,1H3;1-3H;5-7H,3-4H2,1-2H3;2-3H,1H3,(H,5,6);1H3,(H,3,4);1,3H;3*1H4;;;/q;;;;;;;;;;;;;;;2*+1;-1/p-1/t18-,19+;10-,11+;;;;;;;5-,6+;;;;;;;;;.

What are the key properties of dipotassium;acetic acid;8-bromo-1-chloro-3-methylimidazo[1,5-a]quinoxaline;4-bromo-2-fluoro-1-nitrobenzene;8-bromo-3-methylimidazo[1,5-a]quinoxaline;(2S,6R)-4-(8-bromo-3-methylimidazo[1,5-a]quinoxalin-1-yl)-2,6-dimethylmorpholine;4-bromo-2-(4-methylimidazol-1-yl)aniline;1-(5-bromo-2-nitrophenyl)-4-methylimidazole;(2S,6R)-2,6-dimethylmorpholine;N-[5-[1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylimidazo[1,5-a]quinoxalin-8-yl]-2-pyridinyl]-N',N'-dimethylpropane-1,3-diamine;N',N'-dimethyl-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propane-1,3-diamine;hydride;methane;5-methyl-1H-imidazole;oxido formate?

dipotassium;acetic acid;8-bromo-1-chloro-3-methylimidazo[1,5-a]quinoxaline;4-bromo-2-fluoro-1-nitrobenzene;8-bromo-3-methylimidazo[1,5-a]quinoxaline;(2S,6R)-4-(8-bromo-3-methylimidazo[1,5-a]quinoxalin-1-yl)-2,6-dimethylmorpholine;4-bromo-2-(4-methylimidazol-1-yl)aniline;1-(5-bromo-2-nitrophenyl)-4-methylimidazole;(2S,6R)-2,6-dimethylmorpholine;N-[5-[1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylimidazo[1,5-a]quinoxalin-8-yl]-2-pyridinyl]-N',N'-dimethylpropane-1,3-diamine;N',N'-dimethyl-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propane-1,3-diamine;hydride;methane;5-methyl-1H-imidazole;oxido formate has a molecular weight of 2912.68 g/mol, XLogP of 19.63, 19 rotatable bonds, 6 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for dipotassium;acetic acid;8-bromo-1-chloro-3-methylimidazo[1,5-a]quinoxaline;4-bromo-2-fluoro-1-nitrobenzene;8-bromo-3-methylimidazo[1,5-a]quinoxaline;(2S,6R)-4-(8-bromo-3-methylimidazo[1,5-a]quinoxalin-1-yl)-2,6-dimethylmorpholine;4-bromo-2-(4-methylimidazol-1-yl)aniline;1-(5-bromo-2-nitrophenyl)-4-methylimidazole;(2S,6R)-2,6-dimethylmorpholine;N-[5-[1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylimidazo[1,5-a]quinoxalin-8-yl]-2-pyridinyl]-N',N'-dimethylpropane-1,3-diamine;N',N'-dimethyl-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propane-1,3-diamine;hydride;methane;5-methyl-1H-imidazole;oxido formate is sourced from PubChem (CID 167587654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).