cesium;4-amino-2-butyl-1-propylimidazo[4,5-c]quinolin-7-ol;4-(4-amino-2-butyl-1-propylimidazo[4,5-c]quinolin-7-yl)oxybutan-1-ol;2-[2-(2-bromoethoxy)ethoxy]ethanol;dodeca-2,4,6,8,10-pentayne;methane;oxido formate

C58H76BrCsN8O9 — CID 164954126

About cesium;4-amino-2-butyl-1-propylimidazo[4,5-c]quinolin-7-ol;4-(4-amino-2-butyl-1-propylimidazo[4,5-c]quinolin-7-yl)oxybutan-1-ol;2-[2-(2-bromoethoxy)ethoxy]ethanol;dodeca-2,4,6,8,10-pentayne;methane;oxido formate

cesium;4-amino-2-butyl-1-propylimidazo[4,5-c]quinolin-7-ol;4-(4-amino-2-butyl-1-propylimidazo[4,5-c]quinolin-7-yl)oxybutan-1-ol;2-[2-(2-bromoethoxy)ethoxy]ethanol;dodeca-2,4,6,8,10-pentayne;methane;oxido formate (PubChem CID 164954126) has the molecular formula C58H76BrCsN8O9 and a molecular weight of 1242.10 g/mol. Its IUPAC name is cesium;4-amino-2-butyl-1-propylimidazo[4,5-c]quinolin-7-ol;4-(4-amino-2-butyl-1-propylimidazo[4,5-c]quinolin-7-yl)oxybutan-1-ol;2-[2-(2-bromoethoxy)ethoxy]ethanol;dodeca-2,4,6,8,10-pentayne;methane;oxido formate.

Molecular Properties

• Compound Name: cesium;4-amino-2-butyl-1-propylimidazo[4,5-c]quinolin-7-ol;4-(4-amino-2-butyl-1-propylimidazo[4,5-c]quinolin-7-yl)oxybutan-1-ol;2-[2-(2-bromoethoxy)ethoxy]ethanol;dodeca-2,4,6,8,10-pentayne;methane;oxido formate
• PubChem CID: 164954126
• Molecular Formula: C58H76BrCsN8O9
• Molecular Weight: 1242.10 g/mol
• Exact Mass: 1240.40
• IUPAC Name: cesium;4-amino-2-butyl-1-propylimidazo[4,5-c]quinolin-7-ol;4-(4-amino-2-butyl-1-propylimidazo[4,5-c]quinolin-7-yl)oxybutan-1-ol;2-[2-(2-bromoethoxy)ethoxy]ethanol;dodeca-2,4,6,8,10-pentayne;methane;oxido formate
• SMILES: C.CC#CC#CC#CC#CC#CC.CCCCc1nc2c(N)nc3cc(O)ccc3c2n1CCC.CCCCc1nc2c(N)nc3cc(OCCCCO)ccc3c2n1CCC.O=CO[O-].OCCOCCOCCBr.[Cs+]
• InChI: InChI=1S/C21H30N4O2.C17H22N4O.C12H6.C6H13BrO3.CH2O3.CH4.Cs/c1-3-5-8-18-24-19-20(25(18)11-4-2)16-10-9-15(27-13-7-6-12-26)14-17(16)23-21(19)22;1-3-5-6-14-20-15-16(21(14)9-4-2)12-8-7-11(22)10-13(12)19-17(15)18;1-3-5-7-9-11-12-10-8-6-4-2;7-1-3-9-5-6-10-4-2-8;2-1-4-3;;/h9-10,14,26H,3-8,11-13H2,1-2H3,(H2,22,23);7-8,10,22H,3-6,9H2,1-2H3,(H2,18,19);1-2H3;8H,1-6H2;1,3H;1H4;/q;;;;;;+1/p-1
• InChIKey: AYAZYAIRGFXFSC-UHFFFAOYSA-M
• XLogP: 5.22
• TPSA: 251.20 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 17
• Rotatable Bonds: 23
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1242.10
LogP ≤ 5	5.22
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', '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 cesium;4-amino-2-butyl-1-propylimidazo[4,5-c]quinolin-7-ol;4-(4-amino-2-butyl-1-propylimidazo[4,5-c]quinolin-7-yl)oxybutan-1-ol;2-[2-(2-bromoethoxy)ethoxy]ethanol;dodeca-2,4,6,8,10-pentayne;methane;oxido formate?

The IUPAC name of cesium;4-amino-2-butyl-1-propylimidazo[4,5-c]quinolin-7-ol;4-(4-amino-2-butyl-1-propylimidazo[4,5-c]quinolin-7-yl)oxybutan-1-ol;2-[2-(2-bromoethoxy)ethoxy]ethanol;dodeca-2,4,6,8,10-pentayne;methane;oxido formate (CID 164954126) is cesium;4-amino-2-butyl-1-propylimidazo[4,5-c]quinolin-7-ol;4-(4-amino-2-butyl-1-propylimidazo[4,5-c]quinolin-7-yl)oxybutan-1-ol;2-[2-(2-bromoethoxy)ethoxy]ethanol;dodeca-2,4,6,8,10-pentayne;methane;oxido formate.

What is the SMILES notation for cesium;4-amino-2-butyl-1-propylimidazo[4,5-c]quinolin-7-ol;4-(4-amino-2-butyl-1-propylimidazo[4,5-c]quinolin-7-yl)oxybutan-1-ol;2-[2-(2-bromoethoxy)ethoxy]ethanol;dodeca-2,4,6,8,10-pentayne;methane;oxido formate?

The canonical SMILES for cesium;4-amino-2-butyl-1-propylimidazo[4,5-c]quinolin-7-ol;4-(4-amino-2-butyl-1-propylimidazo[4,5-c]quinolin-7-yl)oxybutan-1-ol;2-[2-(2-bromoethoxy)ethoxy]ethanol;dodeca-2,4,6,8,10-pentayne;methane;oxido formate is C.CC#CC#CC#CC#CC#CC.CCCCc1nc2c(N)nc3cc(O)ccc3c2n1CCC.CCCCc1nc2c(N)nc3cc(OCCCCO)ccc3c2n1CCC.O=CO[O-].OCCOCCOCCBr.[Cs+].

What is the InChIKey of cesium;4-amino-2-butyl-1-propylimidazo[4,5-c]quinolin-7-ol;4-(4-amino-2-butyl-1-propylimidazo[4,5-c]quinolin-7-yl)oxybutan-1-ol;2-[2-(2-bromoethoxy)ethoxy]ethanol;dodeca-2,4,6,8,10-pentayne;methane;oxido formate?

The InChIKey is AYAZYAIRGFXFSC-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H30N4O2.C17H22N4O.C12H6.C6H13BrO3.CH2O3.CH4.Cs/c1-3-5-8-18-24-19-20(25(18)11-4-2)16-10-9-15(27-13-7-6-12-26)14-17(16)23-21(19)22;1-3-5-6-14-20-15-16(21(14)9-4-2)12-8-7-11(22)10-13(12)19-17(15)18;1-3-5-7-9-11-12-10-8-6-4-2;7-1-3-9-5-6-10-4-2-8;2-1-4-3;;/h9-10,14,26H,3-8,11-13H2,1-2H3,(H2,22,23);7-8,10,22H,3-6,9H2,1-2H3,(H2,18,19);1-2H3;8H,1-6H2;1,3H;1H4;/q;;;;;;+1/p-1.

What are the key properties of cesium;4-amino-2-butyl-1-propylimidazo[4,5-c]quinolin-7-ol;4-(4-amino-2-butyl-1-propylimidazo[4,5-c]quinolin-7-yl)oxybutan-1-ol;2-[2-(2-bromoethoxy)ethoxy]ethanol;dodeca-2,4,6,8,10-pentayne;methane;oxido formate?

cesium;4-amino-2-butyl-1-propylimidazo[4,5-c]quinolin-7-ol;4-(4-amino-2-butyl-1-propylimidazo[4,5-c]quinolin-7-yl)oxybutan-1-ol;2-[2-(2-bromoethoxy)ethoxy]ethanol;dodeca-2,4,6,8,10-pentayne;methane;oxido formate has a molecular weight of 1242.10 g/mol, XLogP of 5.22, 23 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for cesium;4-amino-2-butyl-1-propylimidazo[4,5-c]quinolin-7-ol;4-(4-amino-2-butyl-1-propylimidazo[4,5-c]quinolin-7-yl)oxybutan-1-ol;2-[2-(2-bromoethoxy)ethoxy]ethanol;dodeca-2,4,6,8,10-pentayne;methane;oxido formate is sourced from PubChem (CID 164954126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).