About 8-[6-(dimethoxymethyl)-5-methoxy-3-pyridinyl]-1-(2,6-dimethoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one
8-[6-(dimethoxymethyl)-5-methoxy-3-pyridinyl]-1-(2,6-dimethoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one (PubChem CID 59613094) has the molecular formula C27H27N5O6
and a molecular weight of 517.54 g/mol. Its IUPAC name is 8-[6-(dimethoxymethyl)-5-methoxy-3-pyridinyl]-1-(2,6-dimethoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one.
Molecular Properties
| Compound Name | 8-[6-(dimethoxymethyl)-5-methoxy-3-pyridinyl]-1-(2,6-dimethoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one |
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| PubChem CID | 59613094 |
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| Molecular Formula | C27H27N5O6 |
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| Molecular Weight | 517.54 g/mol |
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| Exact Mass | 517.20 |
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| IUPAC Name | 8-[6-(dimethoxymethyl)-5-methoxy-3-pyridinyl]-1-(2,6-dimethoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one |
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| SMILES | COc1ccc(-n2c(=O)n(C)c3cnc4ccc(-c5cnc(C(OC)OC)c(OC)c5)cc4c32)c(OC)n1 |
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| InChI | InChI=1S/C27H27N5O6/c1-31-20-14-28-18-8-7-15(16-12-21(34-2)23(29-13-16)26(37-5)38-6)11-17(18)24(20)32(27(31)33)19-9-10-22(35-3)30-25(19)36-4/h7-14,26H,1-6H3 |
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| InChIKey | BQYPCBNBJUJGJB-UHFFFAOYSA-N |
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| XLogP | 3.65 |
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| TPSA | 111.75 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 11 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 38 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 517.54 |
| LogP ≤ 5 | 3.65 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 11 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 8-[6-(dimethoxymethyl)-5-methoxy-3-pyridinyl]-1-(2,6-dimethoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one?
The IUPAC name of 8-[6-(dimethoxymethyl)-5-methoxy-3-pyridinyl]-1-(2,6-dimethoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one (CID 59613094) is 8-[6-(dimethoxymethyl)-5-methoxy-3-pyridinyl]-1-(2,6-dimethoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 8-[6-(dimethoxymethyl)-5-methoxy-3-pyridinyl]-1-(2,6-dimethoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 8-[6-(dimethoxymethyl)-5-methoxy-3-pyridinyl]-1-(2,6-dimethoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one is COc1ccc(-n2c(=O)n(C)c3cnc4ccc(-c5cnc(C(OC)OC)c(OC)c5)cc4c32)c(OC)n1.
What is the InChIKey of 8-[6-(dimethoxymethyl)-5-methoxy-3-pyridinyl]-1-(2,6-dimethoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one?
The InChIKey is BQYPCBNBJUJGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O6/c1-31-20-14-28-18-8-7-15(16-12-21(34-2)23(29-13-16)26(37-5)38-6)11-17(18)24(20)32(27(31)33)19-9-10-22(35-3)30-25(19)36-4/h7-14,26H,1-6H3.
What are the key properties of 8-[6-(dimethoxymethyl)-5-methoxy-3-pyridinyl]-1-(2,6-dimethoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one?
8-[6-(dimethoxymethyl)-5-methoxy-3-pyridinyl]-1-(2,6-dimethoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one has a molecular weight of 517.54 g/mol, XLogP of 3.65, 8 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[6-(dimethoxymethyl)-5-methoxy-3-pyridinyl]-1-(2,6-dimethoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 59613094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).