dicesium;6-bromo-2-chloroquinoline;6-bromo-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)quinolin-2-amine;6-(2,7-dimethylindazol-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)quinolin-2-amine;2,7-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;hydride;methane;oxido formate;N,2,2,6,6-pentamethylpiperidin-4-amine

C85H123BBr2ClCs2N13O5 — CID 167624660

About dicesium;6-bromo-2-chloroquinoline;6-bromo-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)quinolin-2-amine;6-(2,7-dimethylindazol-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)quinolin-2-amine;2,7-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;hydride;methane;oxido formate;N,2,2,6,6-pentamethylpiperidin-4-amine

dicesium;6-bromo-2-chloroquinoline;6-bromo-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)quinolin-2-amine;6-(2,7-dimethylindazol-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)quinolin-2-amine;2,7-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;hydride;methane;oxido formate;N,2,2,6,6-pentamethylpiperidin-4-amine (PubChem CID 167624660) has the molecular formula C85H123BBr2ClCs2N13O5 and a molecular weight of 1878.89 g/mol. Its IUPAC name is dicesium;6-bromo-2-chloroquinoline;6-bromo-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)quinolin-2-amine;6-(2,7-dimethylindazol-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)quinolin-2-amine;2,7-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;hydride;methane;oxido formate;N,2,2,6,6-pentamethylpiperidin-4-amine.

Molecular Properties

• Compound Name: dicesium;6-bromo-2-chloroquinoline;6-bromo-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)quinolin-2-amine;6-(2,7-dimethylindazol-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)quinolin-2-amine;2,7-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;hydride;methane;oxido formate;N,2,2,6,6-pentamethylpiperidin-4-amine
• PubChem CID: 167624660
• Molecular Formula: C85H123BBr2ClCs2N13O5
• Molecular Weight: 1878.89 g/mol
• Exact Mass: 1875.60
• IUPAC Name: dicesium;6-bromo-2-chloroquinoline;6-bromo-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)quinolin-2-amine;6-(2,7-dimethylindazol-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)quinolin-2-amine;2,7-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;hydride;methane;oxido formate;N,2,2,6,6-pentamethylpiperidin-4-amine
• SMILES: C.C.C.CN(c1ccc2cc(Br)ccc2n1)C1CC(C)(C)NC(C)(C)C1.CNC1CC(C)(C)NC(C)(C)C1.Cc1cc(-c2ccc3nc(N(C)C4CC(C)(C)NC(C)(C)C4)ccc3c2)cc2cn(C)nc12.Cc1cc(B2OC(C)(C)C(C)(C)O2)cc2cn(C)nc12.Clc1ccc2cc(Br)ccc2n1.O=CO[O-].[Cs+].[Cs+].[H-]
• InChI: InChI=1S/C28H35N5.C19H26BrN3.C15H21BN2O2.C10H22N2.C9H5BrClN.CH2O3.3CH4.2Cs.H/c1-18-12-21(14-22-17-32(6)30-26(18)22)19-8-10-24-20(13-19)9-11-25(29-24)33(7)23-15-27(2,3)31-28(4,5)16-23;1-18(2)11-15(12-19(3,4)22-18)23(5)17-9-6-13-10-14(20)7-8-16(13)21-17;1-10-7-12(8-11-9-18(6)17-13(10)11)16-19-14(2,3)15(4,5)20-16;1-9(2)6-8(11-5)7-10(3,4)12-9;10-7-2-3-8-6(5-7)1-4-9(11)12-8;2-1-4-3;;;;;;/h8-14,17,23,31H,15-16H2,1-7H3;6-10,15,22H,11-12H2,1-5H3;7-9H,1-6H3;8,11-12H,6-7H2,1-5H3;1-5H;1,3H;3*1H4;;;/q;;;;;;;;;2*+1;-1/p-1
• InChIKey: WLUHXEZUQOLWPX-UHFFFAOYSA-M
• XLogP: 12.40
• TPSA: 196.73 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 18
• Rotatable Bonds: 8
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1878.89
LogP ≤ 5	12.40
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dicesium;6-bromo-2-chloroquinoline;6-bromo-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)quinolin-2-amine;6-(2,7-dimethylindazol-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)quinolin-2-amine;2,7-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;hydride;methane;oxido formate;N,2,2,6,6-pentamethylpiperidin-4-amine?

The IUPAC name of dicesium;6-bromo-2-chloroquinoline;6-bromo-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)quinolin-2-amine;6-(2,7-dimethylindazol-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)quinolin-2-amine;2,7-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;hydride;methane;oxido formate;N,2,2,6,6-pentamethylpiperidin-4-amine (CID 167624660) is dicesium;6-bromo-2-chloroquinoline;6-bromo-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)quinolin-2-amine;6-(2,7-dimethylindazol-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)quinolin-2-amine;2,7-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;hydride;methane;oxido formate;N,2,2,6,6-pentamethylpiperidin-4-amine.

What is the SMILES notation for dicesium;6-bromo-2-chloroquinoline;6-bromo-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)quinolin-2-amine;6-(2,7-dimethylindazol-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)quinolin-2-amine;2,7-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;hydride;methane;oxido formate;N,2,2,6,6-pentamethylpiperidin-4-amine?

The canonical SMILES for dicesium;6-bromo-2-chloroquinoline;6-bromo-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)quinolin-2-amine;6-(2,7-dimethylindazol-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)quinolin-2-amine;2,7-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;hydride;methane;oxido formate;N,2,2,6,6-pentamethylpiperidin-4-amine is C.C.C.CN(c1ccc2cc(Br)ccc2n1)C1CC(C)(C)NC(C)(C)C1.CNC1CC(C)(C)NC(C)(C)C1.Cc1cc(-c2ccc3nc(N(C)C4CC(C)(C)NC(C)(C)C4)ccc3c2)cc2cn(C)nc12.Cc1cc(B2OC(C)(C)C(C)(C)O2)cc2cn(C)nc12.Clc1ccc2cc(Br)ccc2n1.O=CO[O-].[Cs+].[Cs+].[H-].

What is the InChIKey of dicesium;6-bromo-2-chloroquinoline;6-bromo-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)quinolin-2-amine;6-(2,7-dimethylindazol-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)quinolin-2-amine;2,7-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;hydride;methane;oxido formate;N,2,2,6,6-pentamethylpiperidin-4-amine?

The InChIKey is WLUHXEZUQOLWPX-UHFFFAOYSA-M. The full InChI is InChI=1S/C28H35N5.C19H26BrN3.C15H21BN2O2.C10H22N2.C9H5BrClN.CH2O3.3CH4.2Cs.H/c1-18-12-21(14-22-17-32(6)30-26(18)22)19-8-10-24-20(13-19)9-11-25(29-24)33(7)23-15-27(2,3)31-28(4,5)16-23;1-18(2)11-15(12-19(3,4)22-18)23(5)17-9-6-13-10-14(20)7-8-16(13)21-17;1-10-7-12(8-11-9-18(6)17-13(10)11)16-19-14(2,3)15(4,5)20-16;1-9(2)6-8(11-5)7-10(3,4)12-9;10-7-2-3-8-6(5-7)1-4-9(11)12-8;2-1-4-3;;;;;;/h8-14,17,23,31H,15-16H2,1-7H3;6-10,15,22H,11-12H2,1-5H3;7-9H,1-6H3;8,11-12H,6-7H2,1-5H3;1-5H;1,3H;3*1H4;;;/q;;;;;;;;;2*+1;-1/p-1.

What are the key properties of dicesium;6-bromo-2-chloroquinoline;6-bromo-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)quinolin-2-amine;6-(2,7-dimethylindazol-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)quinolin-2-amine;2,7-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;hydride;methane;oxido formate;N,2,2,6,6-pentamethylpiperidin-4-amine?

dicesium;6-bromo-2-chloroquinoline;6-bromo-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)quinolin-2-amine;6-(2,7-dimethylindazol-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)quinolin-2-amine;2,7-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;hydride;methane;oxido formate;N,2,2,6,6-pentamethylpiperidin-4-amine has a molecular weight of 1878.89 g/mol, XLogP of 12.40, 8 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for dicesium;6-bromo-2-chloroquinoline;6-bromo-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)quinolin-2-amine;6-(2,7-dimethylindazol-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)quinolin-2-amine;2,7-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;hydride;methane;oxido formate;N,2,2,6,6-pentamethylpiperidin-4-amine is sourced from PubChem (CID 167624660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).