About 1,2,4-trimethylquinolin-5-one
1,2,4-trimethylquinolin-5-one (PubChem CID 4051920) has the molecular formula C12H13NO
and a molecular weight of 187.24 g/mol. Its IUPAC name is 1,2,4-trimethylquinolin-5-one.
Molecular Properties
| Compound Name | 1,2,4-trimethylquinolin-5-one |
|---|
| PubChem CID | 4051920 |
|---|
| Molecular Formula | C12H13NO |
|---|
| Molecular Weight | 187.24 g/mol |
|---|
| Exact Mass | 187.10 |
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| IUPAC Name | 1,2,4-trimethylquinolin-5-one |
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| SMILES | Cc1cc(C)n(C)c2cccc(=O)c1-2 |
|---|
| InChI | InChI=1S/C12H13NO/c1-8-7-9(2)13(3)10-5-4-6-11(14)12(8)10/h4-7H,1-3H3 |
|---|
| InChIKey | VIRHCXHYQRAUPK-UHFFFAOYSA-N |
|---|
| XLogP | 2.11 |
|---|
| TPSA | 22.00 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 2 |
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| Rotatable Bonds | |
|---|
| Heavy Atoms | 14 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 187.24 |
| LogP ≤ 5 | 2.11 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of 1,2,4-trimethylquinolin-5-one?
The IUPAC name of 1,2,4-trimethylquinolin-5-one (CID 4051920) is 1,2,4-trimethylquinolin-5-one.
What is the SMILES notation for 1,2,4-trimethylquinolin-5-one?
The canonical SMILES for 1,2,4-trimethylquinolin-5-one is Cc1cc(C)n(C)c2cccc(=O)c1-2.
What is the InChIKey of 1,2,4-trimethylquinolin-5-one?
The InChIKey is VIRHCXHYQRAUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-8-7-9(2)13(3)10-5-4-6-11(14)12(8)10/h4-7H,1-3H3.
What are the key properties of 1,2,4-trimethylquinolin-5-one?
1,2,4-trimethylquinolin-5-one has a molecular weight of 187.24 g/mol, XLogP of 2.11, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-trimethylquinolin-5-one is sourced from PubChem (CID 4051920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).