About (5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-[(6-methoxy-2-methylquinolin-4-yl)amino]-2-methylimidazol-4-one
(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-[(6-methoxy-2-methylquinolin-4-yl)amino]-2-methylimidazol-4-one (PubChem CID 6448327) has the molecular formula C24H25N5O2
and a molecular weight of 415.50 g/mol. Its IUPAC name is (5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-[(6-methoxy-2-methylquinolin-4-yl)amino]-2-methylimidazol-4-one.
Molecular Properties
| Compound Name | (5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-[(6-methoxy-2-methylquinolin-4-yl)amino]-2-methylimidazol-4-one |
|---|
| PubChem CID | 6448327 |
|---|
| Molecular Formula | C24H25N5O2 |
|---|
| Molecular Weight | 415.50 g/mol |
|---|
| Exact Mass | 415.20 |
|---|
| IUPAC Name | (5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-[(6-methoxy-2-methylquinolin-4-yl)amino]-2-methylimidazol-4-one |
|---|
| SMILES | COc1ccc2nc(C)cc(NN3C(=O)/C(=C/c4ccc(N(C)C)cc4)N=C3C)c2c1 |
|---|
| InChI | InChI=1S/C24H25N5O2/c1-15-12-22(20-14-19(31-5)10-11-21(20)25-15)27-29-16(2)26-23(24(29)30)13-17-6-8-18(9-7-17)28(3)4/h6-14H,1-5H3,(H,25,27)/b23-13- |
|---|
| InChIKey | YBJSGVDUNXWZLM-QRVIBDJDSA-N |
|---|
| XLogP | 4.25 |
|---|
| TPSA | 70.06 Ų |
|---|
| H-Bond Donors | 1 |
|---|
| H-Bond Acceptors | 6 |
|---|
| Rotatable Bonds | 5 |
|---|
| Heavy Atoms | 31 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 415.50 |
| LogP ≤ 5 | 4.25 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 6 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'} |
|---|
Analyze (5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-[(6-methoxy-2-methylquinolin-4-yl)amino]-2-methylimidazol-4-one with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of (5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-[(6-methoxy-2-methylquinolin-4-yl)amino]-2-methylimidazol-4-one?
The IUPAC name of (5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-[(6-methoxy-2-methylquinolin-4-yl)amino]-2-methylimidazol-4-one (CID 6448327) is (5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-[(6-methoxy-2-methylquinolin-4-yl)amino]-2-methylimidazol-4-one.
What is the SMILES notation for (5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-[(6-methoxy-2-methylquinolin-4-yl)amino]-2-methylimidazol-4-one?
The canonical SMILES for (5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-[(6-methoxy-2-methylquinolin-4-yl)amino]-2-methylimidazol-4-one is COc1ccc2nc(C)cc(NN3C(=O)/C(=C/c4ccc(N(C)C)cc4)N=C3C)c2c1.
What is the InChIKey of (5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-[(6-methoxy-2-methylquinolin-4-yl)amino]-2-methylimidazol-4-one?
The InChIKey is YBJSGVDUNXWZLM-QRVIBDJDSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-15-12-22(20-14-19(31-5)10-11-21(20)25-15)27-29-16(2)26-23(24(29)30)13-17-6-8-18(9-7-17)28(3)4/h6-14H,1-5H3,(H,25,27)/b23-13-.
What are the key properties of (5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-[(6-methoxy-2-methylquinolin-4-yl)amino]-2-methylimidazol-4-one?
(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-[(6-methoxy-2-methylquinolin-4-yl)amino]-2-methylimidazol-4-one has a molecular weight of 415.50 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-[(6-methoxy-2-methylquinolin-4-yl)amino]-2-methylimidazol-4-one is sourced from PubChem (CID 6448327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).