AC1MLQCD
3-[[1,3-benzodioxol-5-ylmethyl-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]propyl]amino]methyl]-6,7-dimethyl-1H-quinolin-2-one
Also Known As: Oprea1_469324|ASN 05300554|3-[[1,3-benzodioxol-5-ylmethyl-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]propyl]amino]methyl]-6,7-dimethyl-1H-quinolin-2-one|3-({[(2H-1,3-Benzodioxol-5-yl)methyl](1-{1-[(furan-2-yl)methyl]-1H-tetrazol-5-yl}propyl)amino}methyl)-6,7-dimethylquinolin-2(1H)-one
| Molecular Formula | C29H30N6O4 |
|---|---|
| Molecular Weight | 526.23285 g/mol |
| LogP | 4.65494 |
| Topological Polar Surface Area | 111.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 526.23285 |
| Monoisotopic Mass | 526.23285 |
| Heavy Atoms | 39 |
| Complexity | 1673.4343 |
Chemical Identifiers
| CAS Number | 3910-96-1 |
|---|---|
| SMILES | CCC(C1=NN=NN1CC2=CC=CO2)N(CC3=CC4=C(C=C3)OCO4)CC5=CC6=C(C=C(C(=C6)C)C)NC5=O |
Product Overview
AC1MLQCD (CAS 3910-96-1), with molecular formula C29H30N6O4 and molecular weight 526.23285 g/mol. IUPAC: 3-[[1,3-benzodioxol-5-ylmethyl-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]propyl]amino]methyl]-6,7-dimethyl-1H-quinolin-2-one.
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