About [2-(ethoxymethyl)-1-[2-methyl-2-(4-pyrrolidin-1-ylbutoxy)propyl]imidazo[4,5-c]quinolin-4-yl]azanide;palladium
[2-(ethoxymethyl)-1-[2-methyl-2-(4-pyrrolidin-1-ylbutoxy)propyl]imidazo[4,5-c]quinolin-4-yl]azanide;palladium (PubChem CID 171561004) has the molecular formula C25H36N5O2Pd-
and a molecular weight of 545.02 g/mol. Its IUPAC name is [2-(ethoxymethyl)-1-[2-methyl-2-(4-pyrrolidin-1-ylbutoxy)propyl]imidazo[4,5-c]quinolin-4-yl]azanide;palladium.
Molecular Properties
| Compound Name | [2-(ethoxymethyl)-1-[2-methyl-2-(4-pyrrolidin-1-ylbutoxy)propyl]imidazo[4,5-c]quinolin-4-yl]azanide;palladium |
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| PubChem CID | 171561004 |
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| Molecular Formula | C25H36N5O2Pd- |
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| Molecular Weight | 545.02 g/mol |
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| Exact Mass | 544.19 |
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| IUPAC Name | [2-(ethoxymethyl)-1-[2-methyl-2-(4-pyrrolidin-1-ylbutoxy)propyl]imidazo[4,5-c]quinolin-4-yl]azanide;palladium |
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| SMILES | CCOCc1nc2c([NH-])nc3ccccc3c2n1CC(C)(C)OCCCCN1CCCC1.[Pd] |
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| InChI | InChI=1S/C25H36N5O2.Pd/c1-4-31-17-21-28-22-23(19-11-5-6-12-20(19)27-24(22)26)30(21)18-25(2,3)32-16-10-9-15-29-13-7-8-14-29;/h5-6,11-12H,4,7-10,13-18H2,1-3H3,(H-,26,27);/q-1; |
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| InChIKey | QBVUUPHTEQNSNV-UHFFFAOYSA-N |
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| XLogP | 5.47 |
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| TPSA | 76.21 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 11 |
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| Heavy Atoms | 33 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 545.02 |
| LogP ≤ 5 | 5.47 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of [2-(ethoxymethyl)-1-[2-methyl-2-(4-pyrrolidin-1-ylbutoxy)propyl]imidazo[4,5-c]quinolin-4-yl]azanide;palladium?
The IUPAC name of [2-(ethoxymethyl)-1-[2-methyl-2-(4-pyrrolidin-1-ylbutoxy)propyl]imidazo[4,5-c]quinolin-4-yl]azanide;palladium (CID 171561004) is [2-(ethoxymethyl)-1-[2-methyl-2-(4-pyrrolidin-1-ylbutoxy)propyl]imidazo[4,5-c]quinolin-4-yl]azanide;palladium.
What is the SMILES notation for [2-(ethoxymethyl)-1-[2-methyl-2-(4-pyrrolidin-1-ylbutoxy)propyl]imidazo[4,5-c]quinolin-4-yl]azanide;palladium?
The canonical SMILES for [2-(ethoxymethyl)-1-[2-methyl-2-(4-pyrrolidin-1-ylbutoxy)propyl]imidazo[4,5-c]quinolin-4-yl]azanide;palladium is CCOCc1nc2c([NH-])nc3ccccc3c2n1CC(C)(C)OCCCCN1CCCC1.[Pd].
What is the InChIKey of [2-(ethoxymethyl)-1-[2-methyl-2-(4-pyrrolidin-1-ylbutoxy)propyl]imidazo[4,5-c]quinolin-4-yl]azanide;palladium?
The InChIKey is QBVUUPHTEQNSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N5O2.Pd/c1-4-31-17-21-28-22-23(19-11-5-6-12-20(19)27-24(22)26)30(21)18-25(2,3)32-16-10-9-15-29-13-7-8-14-29;/h5-6,11-12H,4,7-10,13-18H2,1-3H3,(H-,26,27);/q-1;.
What are the key properties of [2-(ethoxymethyl)-1-[2-methyl-2-(4-pyrrolidin-1-ylbutoxy)propyl]imidazo[4,5-c]quinolin-4-yl]azanide;palladium?
[2-(ethoxymethyl)-1-[2-methyl-2-(4-pyrrolidin-1-ylbutoxy)propyl]imidazo[4,5-c]quinolin-4-yl]azanide;palladium has a molecular weight of 545.02 g/mol, XLogP of 5.47, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethoxymethyl)-1-[2-methyl-2-(4-pyrrolidin-1-ylbutoxy)propyl]imidazo[4,5-c]quinolin-4-yl]azanide;palladium is sourced from PubChem (CID 171561004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).