About 3-ethyl-4-(methylamino)-1-phenylquinolin-2-one
3-ethyl-4-(methylamino)-1-phenylquinolin-2-one (PubChem CID 123908561) has the molecular formula C18H18N2O
and a molecular weight of 278.36 g/mol. Its IUPAC name is 3-ethyl-4-(methylamino)-1-phenylquinolin-2-one.
Molecular Properties
| Compound Name | 3-ethyl-4-(methylamino)-1-phenylquinolin-2-one |
| PubChem CID | 123908561 |
| Molecular Formula | C18H18N2O |
| Molecular Weight | 278.36 g/mol |
| Exact Mass | 278.14 |
| IUPAC Name | 3-ethyl-4-(methylamino)-1-phenylquinolin-2-one |
| SMILES | CCc1c(NC)c2ccccc2n(-c2ccccc2)c1=O |
| InChI | InChI=1S/C18H18N2O/c1-3-14-17(19-2)15-11-7-8-12-16(15)20(18(14)21)13-9-5-4-6-10-13/h4-12,19H,3H2,1-2H3 |
| InChIKey | KYNZCFOGNCVIQR-UHFFFAOYSA-N |
| XLogP | 3.59 |
| TPSA | 34.03 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 21 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 278.36 |
| LogP ≤ 5 | 3.59 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of 3-ethyl-4-(methylamino)-1-phenylquinolin-2-one?
The IUPAC name of 3-ethyl-4-(methylamino)-1-phenylquinolin-2-one (CID 123908561) is 3-ethyl-4-(methylamino)-1-phenylquinolin-2-one.
What is the SMILES notation for 3-ethyl-4-(methylamino)-1-phenylquinolin-2-one?
The canonical SMILES for 3-ethyl-4-(methylamino)-1-phenylquinolin-2-one is CCc1c(NC)c2ccccc2n(-c2ccccc2)c1=O.
What is the InChIKey of 3-ethyl-4-(methylamino)-1-phenylquinolin-2-one?
The InChIKey is KYNZCFOGNCVIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-3-14-17(19-2)15-11-7-8-12-16(15)20(18(14)21)13-9-5-4-6-10-13/h4-12,19H,3H2,1-2H3.
What are the key properties of 3-ethyl-4-(methylamino)-1-phenylquinolin-2-one?
3-ethyl-4-(methylamino)-1-phenylquinolin-2-one has a molecular weight of 278.36 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(methylamino)-1-phenylquinolin-2-one is sourced from PubChem (CID 123908561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).