sodium;gadolinium;bis(8-hydroxy-N-[7-[(8-hydroxyquinoline-7-carbonyl)amino]-4-[3-[(8-hydroxyquinoline-7-carbonyl)amino]propyl]-4-[[3,4,5-tris[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methylcarbamoyl]heptyl]quinoline-7-carboxamide);manganese;methane;propane

C142H190GdMnN14NaO38+ — CID 158431795

About sodium;gadolinium;bis(8-hydroxy-N-[7-[(8-hydroxyquinoline-7-carbonyl)amino]-4-[3-[(8-hydroxyquinoline-7-carbonyl)amino]propyl]-4-[[3,4,5-tris[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methylcarbamoyl]heptyl]quinoline-7-carboxamide);manganese;methane;propane

sodium;gadolinium;bis(8-hydroxy-N-[7-[(8-hydroxyquinoline-7-carbonyl)amino]-4-[3-[(8-hydroxyquinoline-7-carbonyl)amino]propyl]-4-[[3,4,5-tris[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methylcarbamoyl]heptyl]quinoline-7-carboxamide);manganese;methane;propane (PubChem CID 158431795) has the molecular formula C142H190GdMnN14NaO38+ and a molecular weight of 2936.32 g/mol. Its IUPAC name is sodium;gadolinium;bis(8-hydroxy-N-[7-[(8-hydroxyquinoline-7-carbonyl)amino]-4-[3-[(8-hydroxyquinoline-7-carbonyl)amino]propyl]-4-[[3,4,5-tris[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methylcarbamoyl]heptyl]quinoline-7-carboxamide);manganese;methane;propane.

Molecular Properties

• Compound Name: sodium;gadolinium;bis(8-hydroxy-N-[7-[(8-hydroxyquinoline-7-carbonyl)amino]-4-[3-[(8-hydroxyquinoline-7-carbonyl)amino]propyl]-4-[[3,4,5-tris[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methylcarbamoyl]heptyl]quinoline-7-carboxamide);manganese;methane;propane
• PubChem CID: 158431795
• Molecular Formula: C142H190GdMnN14NaO38+
• Molecular Weight: 2936.32 g/mol
• Exact Mass: 2935.19
• IUPAC Name: sodium;gadolinium;bis(8-hydroxy-N-[7-[(8-hydroxyquinoline-7-carbonyl)amino]-4-[3-[(8-hydroxyquinoline-7-carbonyl)amino]propyl]-4-[[3,4,5-tris[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methylcarbamoyl]heptyl]quinoline-7-carboxamide);manganese;methane;propane
• SMILES: C.CCC.COCCOCCOCCOc1cc(CNC(=O)C(CCCNC(=O)c2ccc3cccnc3c2O)(CCCNC(=O)c2ccc3cccnc3c2O)CCCNC(=O)c2ccc3cccnc3c2O)cc(OCCOCCOCCOC)c1OCCOCCOCCOC.COCCOCCOCCOc1cc(CNC(=O)C(CCCNC(=O)c2ccc3cccnc3c2O)(CCCNC(=O)c2ccc3cccnc3c2O)CCCNC(=O)c2ccc3cccnc3c2O)cc(OCCOCCOCCOC)c1OCCOCCOCCOC.[Gd].[Mn].[Na+]
• InChI: InChI=1S/2C69H89N7O19.C3H8.CH4.Gd.Mn.Na/c2*1-84-28-31-87-34-37-90-40-43-93-56-46-49(47-57(94-44-41-91-38-35-88-32-29-85-2)64(56)95-45-42-92-39-36-89-33-30-86-3)48-76-68(83)69(19-7-25-73-65(80)53-16-13-50-10-4-22-70-58(50)61(53)77,20-8-26-74-66(81)54-17-14-51-11-5-23-71-59(51)62(54)78)21-9-27-75-67(82)55-18-15-52-12-6-24-72-60(52)63(55)79;1-3-2;;;;/h2*4-6,10-18,22-24,46-47,77-79H,7-9,19-21,25-45,48H2,1-3H3,(H,73,80)(H,74,81)(H,75,82)(H,76,83);3H2,1-2H3;1H4;;;/q;;;;;;+1
• InChIKey: KAFRIJXWBMKBKL-UHFFFAOYSA-N
• XLogP: 12.77
• TPSA: 653.04 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 44
• Rotatable Bonds: 96
• Heavy Atoms: 197
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2936.32
LogP ≤ 5	12.77
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	44

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of sodium;gadolinium;bis(8-hydroxy-N-[7-[(8-hydroxyquinoline-7-carbonyl)amino]-4-[3-[(8-hydroxyquinoline-7-carbonyl)amino]propyl]-4-[[3,4,5-tris[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methylcarbamoyl]heptyl]quinoline-7-carboxamide);manganese;methane;propane?

The IUPAC name of sodium;gadolinium;bis(8-hydroxy-N-[7-[(8-hydroxyquinoline-7-carbonyl)amino]-4-[3-[(8-hydroxyquinoline-7-carbonyl)amino]propyl]-4-[[3,4,5-tris[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methylcarbamoyl]heptyl]quinoline-7-carboxamide);manganese;methane;propane (CID 158431795) is sodium;gadolinium;bis(8-hydroxy-N-[7-[(8-hydroxyquinoline-7-carbonyl)amino]-4-[3-[(8-hydroxyquinoline-7-carbonyl)amino]propyl]-4-[[3,4,5-tris[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methylcarbamoyl]heptyl]quinoline-7-carboxamide);manganese;methane;propane.

What is the SMILES notation for sodium;gadolinium;bis(8-hydroxy-N-[7-[(8-hydroxyquinoline-7-carbonyl)amino]-4-[3-[(8-hydroxyquinoline-7-carbonyl)amino]propyl]-4-[[3,4,5-tris[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methylcarbamoyl]heptyl]quinoline-7-carboxamide);manganese;methane;propane?

The canonical SMILES for sodium;gadolinium;bis(8-hydroxy-N-[7-[(8-hydroxyquinoline-7-carbonyl)amino]-4-[3-[(8-hydroxyquinoline-7-carbonyl)amino]propyl]-4-[[3,4,5-tris[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methylcarbamoyl]heptyl]quinoline-7-carboxamide);manganese;methane;propane is C.CCC.COCCOCCOCCOc1cc(CNC(=O)C(CCCNC(=O)c2ccc3cccnc3c2O)(CCCNC(=O)c2ccc3cccnc3c2O)CCCNC(=O)c2ccc3cccnc3c2O)cc(OCCOCCOCCOC)c1OCCOCCOCCOC.COCCOCCOCCOc1cc(CNC(=O)C(CCCNC(=O)c2ccc3cccnc3c2O)(CCCNC(=O)c2ccc3cccnc3c2O)CCCNC(=O)c2ccc3cccnc3c2O)cc(OCCOCCOCCOC)c1OCCOCCOCCOC.[Gd].[Mn].[Na+].

What is the InChIKey of sodium;gadolinium;bis(8-hydroxy-N-[7-[(8-hydroxyquinoline-7-carbonyl)amino]-4-[3-[(8-hydroxyquinoline-7-carbonyl)amino]propyl]-4-[[3,4,5-tris[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methylcarbamoyl]heptyl]quinoline-7-carboxamide);manganese;methane;propane?

The InChIKey is KAFRIJXWBMKBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C69H89N7O19.C3H8.CH4.Gd.Mn.Na/c2*1-84-28-31-87-34-37-90-40-43-93-56-46-49(47-57(94-44-41-91-38-35-88-32-29-85-2)64(56)95-45-42-92-39-36-89-33-30-86-3)48-76-68(83)69(19-7-25-73-65(80)53-16-13-50-10-4-22-70-58(50)61(53)77,20-8-26-74-66(81)54-17-14-51-11-5-23-71-59(51)62(54)78)21-9-27-75-67(82)55-18-15-52-12-6-24-72-60(52)63(55)79;1-3-2;;;;/h2*4-6,10-18,22-24,46-47,77-79H,7-9,19-21,25-45,48H2,1-3H3,(H,73,80)(H,74,81)(H,75,82)(H,76,83);3H2,1-2H3;1H4;;;/q;;;;;;+1.

What are the key properties of sodium;gadolinium;bis(8-hydroxy-N-[7-[(8-hydroxyquinoline-7-carbonyl)amino]-4-[3-[(8-hydroxyquinoline-7-carbonyl)amino]propyl]-4-[[3,4,5-tris[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methylcarbamoyl]heptyl]quinoline-7-carboxamide);manganese;methane;propane?

sodium;gadolinium;bis(8-hydroxy-N-[7-[(8-hydroxyquinoline-7-carbonyl)amino]-4-[3-[(8-hydroxyquinoline-7-carbonyl)amino]propyl]-4-[[3,4,5-tris[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methylcarbamoyl]heptyl]quinoline-7-carboxamide);manganese;methane;propane has a molecular weight of 2936.32 g/mol, XLogP of 12.77, 96 rotatable bonds, 14 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;gadolinium;bis(8-hydroxy-N-[7-[(8-hydroxyquinoline-7-carbonyl)amino]-4-[3-[(8-hydroxyquinoline-7-carbonyl)amino]propyl]-4-[[3,4,5-tris[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methylcarbamoyl]heptyl]quinoline-7-carboxamide);manganese;methane;propane is sourced from PubChem (CID 158431795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).