dicesium;bromozinc(1+);tert-butyl N-[1-[4-(cyclohexylmethyl)-5-fluoro-2-methoxyphenyl]-2-oxoquinolin-6-yl]sulfonyl-N-(1,2,4-oxadiazol-3-yl)carbamate;1-[4-(cyclohexylmethyl)-5-fluoro-2-methoxyphenyl]-N-(1,2,4-oxadiazol-3-yl)-2-oxoquinoline-6-sulfonamide;hydride;methanidylcyclohexane;3-methyl-1,2,4-oxadiazole;oxido formate;(2,3,4,5,6-pentafluorophenyl) 1-(4-bromo-5-fluoro-2-methoxyphenyl)-2-oxoquinoline-6-sulfonate;(2,3,4,5,6-pentafluorophenyl) 1-[4-(cyclohexylmethyl)-5-fluoro-2-methoxyphenyl]-2-oxoquinoline-6-sulfonate;phosphane

C117H122Br2Cs2F14N12O26P4S4Zn — CID 158716310

About dicesium;bromozinc(1+);tert-butyl N-[1-[4-(cyclohexylmethyl)-5-fluoro-2-methoxyphenyl]-2-oxoquinolin-6-yl]sulfonyl-N-(1,2,4-oxadiazol-3-yl)carbamate;1-[4-(cyclohexylmethyl)-5-fluoro-2-methoxyphenyl]-N-(1,2,4-oxadiazol-3-yl)-2-oxoquinoline-6-sulfonamide;hydride;methanidylcyclohexane;3-methyl-1,2,4-oxadiazole;oxido formate;(2,3,4,5,6-pentafluorophenyl) 1-(4-bromo-5-fluoro-2-methoxyphenyl)-2-oxoquinoline-6-sulfonate;(2,3,4,5,6-pentafluorophenyl) 1-[4-(cyclohexylmethyl)-5-fluoro-2-methoxyphenyl]-2-oxoquinoline-6-sulfonate;phosphane

dicesium;bromozinc(1+);tert-butyl N-[1-[4-(cyclohexylmethyl)-5-fluoro-2-methoxyphenyl]-2-oxoquinolin-6-yl]sulfonyl-N-(1,2,4-oxadiazol-3-yl)carbamate;1-[4-(cyclohexylmethyl)-5-fluoro-2-methoxyphenyl]-N-(1,2,4-oxadiazol-3-yl)-2-oxoquinoline-6-sulfonamide;hydride;methanidylcyclohexane;3-methyl-1,2,4-oxadiazole;oxido formate;(2,3,4,5,6-pentafluorophenyl) 1-(4-bromo-5-fluoro-2-methoxyphenyl)-2-oxoquinoline-6-sulfonate;(2,3,4,5,6-pentafluorophenyl) 1-[4-(cyclohexylmethyl)-5-fluoro-2-methoxyphenyl]-2-oxoquinoline-6-sulfonate;phosphane (PubChem CID 158716310) has the molecular formula C117H122Br2Cs2F14N12O26P4S4Zn and a molecular weight of 3121.46 g/mol. Its IUPAC name is dicesium;bromozinc(1+);tert-butyl N-[1-[4-(cyclohexylmethyl)-5-fluoro-2-methoxyphenyl]-2-oxoquinolin-6-yl]sulfonyl-N-(1,2,4-oxadiazol-3-yl)carbamate;1-[4-(cyclohexylmethyl)-5-fluoro-2-methoxyphenyl]-N-(1,2,4-oxadiazol-3-yl)-2-oxoquinoline-6-sulfonamide;hydride;methanidylcyclohexane;3-methyl-1,2,4-oxadiazole;oxido formate;(2,3,4,5,6-pentafluorophenyl) 1-(4-bromo-5-fluoro-2-methoxyphenyl)-2-oxoquinoline-6-sulfonate;(2,3,4,5,6-pentafluorophenyl) 1-[4-(cyclohexylmethyl)-5-fluoro-2-methoxyphenyl]-2-oxoquinoline-6-sulfonate;phosphane.

Molecular Properties

• Compound Name: dicesium;bromozinc(1+);tert-butyl N-[1-[4-(cyclohexylmethyl)-5-fluoro-2-methoxyphenyl]-2-oxoquinolin-6-yl]sulfonyl-N-(1,2,4-oxadiazol-3-yl)carbamate;1-[4-(cyclohexylmethyl)-5-fluoro-2-methoxyphenyl]-N-(1,2,4-oxadiazol-3-yl)-2-oxoquinoline-6-sulfonamide;hydride;methanidylcyclohexane;3-methyl-1,2,4-oxadiazole;oxido formate;(2,3,4,5,6-pentafluorophenyl) 1-(4-bromo-5-fluoro-2-methoxyphenyl)-2-oxoquinoline-6-sulfonate;(2,3,4,5,6-pentafluorophenyl) 1-[4-(cyclohexylmethyl)-5-fluoro-2-methoxyphenyl]-2-oxoquinoline-6-sulfonate;phosphane
• PubChem CID: 158716310
• Molecular Formula: C117H122Br2Cs2F14N12O26P4S4Zn
• Molecular Weight: 3121.46 g/mol
• Exact Mass: 3116.20
• IUPAC Name: dicesium;bromozinc(1+);tert-butyl N-[1-[4-(cyclohexylmethyl)-5-fluoro-2-methoxyphenyl]-2-oxoquinolin-6-yl]sulfonyl-N-(1,2,4-oxadiazol-3-yl)carbamate;1-[4-(cyclohexylmethyl)-5-fluoro-2-methoxyphenyl]-N-(1,2,4-oxadiazol-3-yl)-2-oxoquinoline-6-sulfonamide;hydride;methanidylcyclohexane;3-methyl-1,2,4-oxadiazole;oxido formate;(2,3,4,5,6-pentafluorophenyl) 1-(4-bromo-5-fluoro-2-methoxyphenyl)-2-oxoquinoline-6-sulfonate;(2,3,4,5,6-pentafluorophenyl) 1-[4-(cyclohexylmethyl)-5-fluoro-2-methoxyphenyl]-2-oxoquinoline-6-sulfonate;phosphane
• SMILES: COc1cc(Br)c(F)cc1-n1c(=O)ccc2cc(S(=O)(=O)Oc3c(F)c(F)c(F)c(F)c3F)ccc21.COc1cc(CC2CCCCC2)c(F)cc1-n1c(=O)ccc2cc(S(=O)(=O)N(C(=O)OC(C)(C)C)c3ncon3)ccc21.COc1cc(CC2CCCCC2)c(F)cc1-n1c(=O)ccc2cc(S(=O)(=O)Nc3ncon3)ccc21.COc1cc(CC2CCCCC2)c(F)cc1-n1c(=O)ccc2cc(S(=O)(=O)Oc3c(F)c(F)c(F)c(F)c3F)ccc21.Cc1ncon1.O=CO[O-].P.P.P.P.[CH2-]C1CCCCC1.[Cs+].[Cs+].[H-].[Zn+]Br
• InChI: InChI=1S/C30H33FN4O7S.C29H23F6NO5S.C25H25FN4O5S.C22H10BrF6NO5S.C7H13.C3H4N2O.CH2O3.BrH.2Cs.4H3P.Zn.H/c1-30(2,3)42-29(37)35(28-32-18-41-33-28)43(38,39)22-11-12-24-20(15-22)10-13-27(36)34(24)25-17-23(31)21(16-26(25)40-4)14-19-8-6-5-7-9-19;1-40-22-13-17(11-15-5-3-2-4-6-15)19(30)14-21(22)36-20-9-8-18(12-16(20)7-10-23(36)37)42(38,39)41-29-27(34)25(32)24(31)26(33)28(29)35;1-34-23-13-18(11-16-5-3-2-4-6-16)20(26)14-22(23)30-21-9-8-19(12-17(21)7-10-24(30)31)36(32,33)29-25-27-15-35-28-25;1-34-15-7-11(23)12(24)8-14(15)30-13-4-3-10(6-9(13)2-5-16(30)31)36(32,33)35-22-20(28)18(26)17(25)19(27)21(22)29;1-7-5-3-2-4-6-7;1-3-4-2-6-5-3;2-1-4-3;;;;;;;;;/h10-13,15-19H,5-9,14H2,1-4H3;7-10,12-15H,2-6,11H2,1H3;7-10,12-16H,2-6,11H2,1H3,(H,28,29);2-8H,1H3;7H,1-6H2;2H,1H3;1,3H;1H;;;4*1H3;;/q;;;;-1;;;;2*+1;;;;;+2;-1/p-2
• InChIKey: CHJFAURSOZJLMS-UHFFFAOYSA-L
• XLogP: 18.72
• TPSA: 487.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 36
• Rotatable Bonds: 27
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3121.46
LogP ≤ 5	18.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dicesium;bromozinc(1+);tert-butyl N-[1-[4-(cyclohexylmethyl)-5-fluoro-2-methoxyphenyl]-2-oxoquinolin-6-yl]sulfonyl-N-(1,2,4-oxadiazol-3-yl)carbamate;1-[4-(cyclohexylmethyl)-5-fluoro-2-methoxyphenyl]-N-(1,2,4-oxadiazol-3-yl)-2-oxoquinoline-6-sulfonamide;hydride;methanidylcyclohexane;3-methyl-1,2,4-oxadiazole;oxido formate;(2,3,4,5,6-pentafluorophenyl) 1-(4-bromo-5-fluoro-2-methoxyphenyl)-2-oxoquinoline-6-sulfonate;(2,3,4,5,6-pentafluorophenyl) 1-[4-(cyclohexylmethyl)-5-fluoro-2-methoxyphenyl]-2-oxoquinoline-6-sulfonate;phosphane?

The IUPAC name of dicesium;bromozinc(1+);tert-butyl N-[1-[4-(cyclohexylmethyl)-5-fluoro-2-methoxyphenyl]-2-oxoquinolin-6-yl]sulfonyl-N-(1,2,4-oxadiazol-3-yl)carbamate;1-[4-(cyclohexylmethyl)-5-fluoro-2-methoxyphenyl]-N-(1,2,4-oxadiazol-3-yl)-2-oxoquinoline-6-sulfonamide;hydride;methanidylcyclohexane;3-methyl-1,2,4-oxadiazole;oxido formate;(2,3,4,5,6-pentafluorophenyl) 1-(4-bromo-5-fluoro-2-methoxyphenyl)-2-oxoquinoline-6-sulfonate;(2,3,4,5,6-pentafluorophenyl) 1-[4-(cyclohexylmethyl)-5-fluoro-2-methoxyphenyl]-2-oxoquinoline-6-sulfonate;phosphane (CID 158716310) is dicesium;bromozinc(1+);tert-butyl N-[1-[4-(cyclohexylmethyl)-5-fluoro-2-methoxyphenyl]-2-oxoquinolin-6-yl]sulfonyl-N-(1,2,4-oxadiazol-3-yl)carbamate;1-[4-(cyclohexylmethyl)-5-fluoro-2-methoxyphenyl]-N-(1,2,4-oxadiazol-3-yl)-2-oxoquinoline-6-sulfonamide;hydride;methanidylcyclohexane;3-methyl-1,2,4-oxadiazole;oxido formate;(2,3,4,5,6-pentafluorophenyl) 1-(4-bromo-5-fluoro-2-methoxyphenyl)-2-oxoquinoline-6-sulfonate;(2,3,4,5,6-pentafluorophenyl) 1-[4-(cyclohexylmethyl)-5-fluoro-2-methoxyphenyl]-2-oxoquinoline-6-sulfonate;phosphane.

What is the SMILES notation for dicesium;bromozinc(1+);tert-butyl N-[1-[4-(cyclohexylmethyl)-5-fluoro-2-methoxyphenyl]-2-oxoquinolin-6-yl]sulfonyl-N-(1,2,4-oxadiazol-3-yl)carbamate;1-[4-(cyclohexylmethyl)-5-fluoro-2-methoxyphenyl]-N-(1,2,4-oxadiazol-3-yl)-2-oxoquinoline-6-sulfonamide;hydride;methanidylcyclohexane;3-methyl-1,2,4-oxadiazole;oxido formate;(2,3,4,5,6-pentafluorophenyl) 1-(4-bromo-5-fluoro-2-methoxyphenyl)-2-oxoquinoline-6-sulfonate;(2,3,4,5,6-pentafluorophenyl) 1-[4-(cyclohexylmethyl)-5-fluoro-2-methoxyphenyl]-2-oxoquinoline-6-sulfonate;phosphane?

The canonical SMILES for dicesium;bromozinc(1+);tert-butyl N-[1-[4-(cyclohexylmethyl)-5-fluoro-2-methoxyphenyl]-2-oxoquinolin-6-yl]sulfonyl-N-(1,2,4-oxadiazol-3-yl)carbamate;1-[4-(cyclohexylmethyl)-5-fluoro-2-methoxyphenyl]-N-(1,2,4-oxadiazol-3-yl)-2-oxoquinoline-6-sulfonamide;hydride;methanidylcyclohexane;3-methyl-1,2,4-oxadiazole;oxido formate;(2,3,4,5,6-pentafluorophenyl) 1-(4-bromo-5-fluoro-2-methoxyphenyl)-2-oxoquinoline-6-sulfonate;(2,3,4,5,6-pentafluorophenyl) 1-[4-(cyclohexylmethyl)-5-fluoro-2-methoxyphenyl]-2-oxoquinoline-6-sulfonate;phosphane is COc1cc(Br)c(F)cc1-n1c(=O)ccc2cc(S(=O)(=O)Oc3c(F)c(F)c(F)c(F)c3F)ccc21.COc1cc(CC2CCCCC2)c(F)cc1-n1c(=O)ccc2cc(S(=O)(=O)N(C(=O)OC(C)(C)C)c3ncon3)ccc21.COc1cc(CC2CCCCC2)c(F)cc1-n1c(=O)ccc2cc(S(=O)(=O)Nc3ncon3)ccc21.COc1cc(CC2CCCCC2)c(F)cc1-n1c(=O)ccc2cc(S(=O)(=O)Oc3c(F)c(F)c(F)c(F)c3F)ccc21.Cc1ncon1.O=CO[O-].P.P.P.P.[CH2-]C1CCCCC1.[Cs+].[Cs+].[H-].[Zn+]Br.

What is the InChIKey of dicesium;bromozinc(1+);tert-butyl N-[1-[4-(cyclohexylmethyl)-5-fluoro-2-methoxyphenyl]-2-oxoquinolin-6-yl]sulfonyl-N-(1,2,4-oxadiazol-3-yl)carbamate;1-[4-(cyclohexylmethyl)-5-fluoro-2-methoxyphenyl]-N-(1,2,4-oxadiazol-3-yl)-2-oxoquinoline-6-sulfonamide;hydride;methanidylcyclohexane;3-methyl-1,2,4-oxadiazole;oxido formate;(2,3,4,5,6-pentafluorophenyl) 1-(4-bromo-5-fluoro-2-methoxyphenyl)-2-oxoquinoline-6-sulfonate;(2,3,4,5,6-pentafluorophenyl) 1-[4-(cyclohexylmethyl)-5-fluoro-2-methoxyphenyl]-2-oxoquinoline-6-sulfonate;phosphane?

The InChIKey is CHJFAURSOZJLMS-UHFFFAOYSA-L. The full InChI is InChI=1S/C30H33FN4O7S.C29H23F6NO5S.C25H25FN4O5S.C22H10BrF6NO5S.C7H13.C3H4N2O.CH2O3.BrH.2Cs.4H3P.Zn.H/c1-30(2,3)42-29(37)35(28-32-18-41-33-28)43(38,39)22-11-12-24-20(15-22)10-13-27(36)34(24)25-17-23(31)21(16-26(25)40-4)14-19-8-6-5-7-9-19;1-40-22-13-17(11-15-5-3-2-4-6-15)19(30)14-21(22)36-20-9-8-18(12-16(20)7-10-23(36)37)42(38,39)41-29-27(34)25(32)24(31)26(33)28(29)35;1-34-23-13-18(11-16-5-3-2-4-6-16)20(26)14-22(23)30-21-9-8-19(12-17(21)7-10-24(30)31)36(32,33)29-25-27-15-35-28-25;1-34-15-7-11(23)12(24)8-14(15)30-13-4-3-10(6-9(13)2-5-16(30)31)36(32,33)35-22-20(28)18(26)17(25)19(27)21(22)29;1-7-5-3-2-4-6-7;1-3-4-2-6-5-3;2-1-4-3;;;;;;;;;/h10-13,15-19H,5-9,14H2,1-4H3;7-10,12-15H,2-6,11H2,1H3;7-10,12-16H,2-6,11H2,1H3,(H,28,29);2-8H,1H3;7H,1-6H2;2H,1H3;1,3H;1H;;;4*1H3;;/q;;;;-1;;;;2*+1;;;;;+2;-1/p-2.

What are the key properties of dicesium;bromozinc(1+);tert-butyl N-[1-[4-(cyclohexylmethyl)-5-fluoro-2-methoxyphenyl]-2-oxoquinolin-6-yl]sulfonyl-N-(1,2,4-oxadiazol-3-yl)carbamate;1-[4-(cyclohexylmethyl)-5-fluoro-2-methoxyphenyl]-N-(1,2,4-oxadiazol-3-yl)-2-oxoquinoline-6-sulfonamide;hydride;methanidylcyclohexane;3-methyl-1,2,4-oxadiazole;oxido formate;(2,3,4,5,6-pentafluorophenyl) 1-(4-bromo-5-fluoro-2-methoxyphenyl)-2-oxoquinoline-6-sulfonate;(2,3,4,5,6-pentafluorophenyl) 1-[4-(cyclohexylmethyl)-5-fluoro-2-methoxyphenyl]-2-oxoquinoline-6-sulfonate;phosphane?

dicesium;bromozinc(1+);tert-butyl N-[1-[4-(cyclohexylmethyl)-5-fluoro-2-methoxyphenyl]-2-oxoquinolin-6-yl]sulfonyl-N-(1,2,4-oxadiazol-3-yl)carbamate;1-[4-(cyclohexylmethyl)-5-fluoro-2-methoxyphenyl]-N-(1,2,4-oxadiazol-3-yl)-2-oxoquinoline-6-sulfonamide;hydride;methanidylcyclohexane;3-methyl-1,2,4-oxadiazole;oxido formate;(2,3,4,5,6-pentafluorophenyl) 1-(4-bromo-5-fluoro-2-methoxyphenyl)-2-oxoquinoline-6-sulfonate;(2,3,4,5,6-pentafluorophenyl) 1-[4-(cyclohexylmethyl)-5-fluoro-2-methoxyphenyl]-2-oxoquinoline-6-sulfonate;phosphane has a molecular weight of 3121.46 g/mol, XLogP of 18.72, 27 rotatable bonds, 1 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for dicesium;bromozinc(1+);tert-butyl N-[1-[4-(cyclohexylmethyl)-5-fluoro-2-methoxyphenyl]-2-oxoquinolin-6-yl]sulfonyl-N-(1,2,4-oxadiazol-3-yl)carbamate;1-[4-(cyclohexylmethyl)-5-fluoro-2-methoxyphenyl]-N-(1,2,4-oxadiazol-3-yl)-2-oxoquinoline-6-sulfonamide;hydride;methanidylcyclohexane;3-methyl-1,2,4-oxadiazole;oxido formate;(2,3,4,5,6-pentafluorophenyl) 1-(4-bromo-5-fluoro-2-methoxyphenyl)-2-oxoquinoline-6-sulfonate;(2,3,4,5,6-pentafluorophenyl) 1-[4-(cyclohexylmethyl)-5-fluoro-2-methoxyphenyl]-2-oxoquinoline-6-sulfonate;phosphane is sourced from PubChem (CID 158716310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).