AC1NX3LY
4-(1,3-benzodioxol-5-yliminomethyl)-3-hydroxy-2-(6-methyl-2-pyridinyl)isoquinolin-1-one
Also Known As: CK1|A-IN-6|(E)-4-((Benzo[d][1,3]dioxol-5-ylamino)methylene)-2-(6-methylpyridin-2-yl)isoquinoline-1,3(2H,4H)-dione|4-((Benzo[d][1,3]dioxol-5-ylimino)methyl)-3-hydroxy-2-(6-methylpyridin-2-yl)isoquinolin-1(2H)-one|4-[(1,3-benzodioxol-5-ylamino)methylidene]-2-(6-methylpyridin-2-yl)isoquinoline-1,3-dione|(4E)-4-[(1,3-benzodioxol-5-ylamino)methylidene]-2-(6-methylpyridin-2-yl)isoquinoline-1,3(2H,4H)-dione|(4E)-4-[(1,3-benzodioxol-5-ylamino)methylidene]-2-(6-methylpyridin-2-yl)isoquinoline-1,3-dione|(4Z)-4-[(1,3-benzodioxol-5-ylamino)methylidene]-2-(6-methylpyridin-2-yl)isoquinoline-1,3-dione
| Molecular Formula | C23H17N3O4 |
|---|---|
| Molecular Weight | 399.12192 g/mol |
| LogP | 3.87902 |
| Topological Polar Surface Area | 85.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 399.12192 |
| Monoisotopic Mass | 399.12192 |
| Heavy Atoms | 30 |
| Complexity | 1374.987 |
Chemical Identifiers
| CAS Number | 1164545-83-8 |
|---|---|
| SMILES | CC1=NC(=CC=C1)N2C(=C(C3=CC=CC=C3C2=O)C=NC4=CC5=C(C=C4)OCO5)O |
Product Overview
AC1NX3LY (CAS 1164545-83-8), with molecular formula C23H17N3O4 and molecular weight 399.12192 g/mol. IUPAC: 4-(1,3-benzodioxol-5-yliminomethyl)-3-hydroxy-2-(6-methyl-2-pyridinyl)isoquinolin-1-one.