3-{3-methoxy-4-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)oxy]phenyl}benzo[f]quinoline-1-carboxylic acid
Chemical Structure Depiction of
3-{3-methoxy-4-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)oxy]phenyl}benzo[f]quinoline-1-carboxylic acid
3-{3-methoxy-4-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)oxy]phenyl}benzo[f]quinoline-1-carboxylic acid
Compound characteristics
| Compound ID: | 3615-0046 |
| Compound Name: | 3-{3-methoxy-4-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)oxy]phenyl}benzo[f]quinoline-1-carboxylic acid |
| Molecular Weight: | 537.53 |
| Molecular Formula: | C29 H23 N5 O6 |
| Smiles: | CN1C(c2c(nc(n2C)Oc2ccc(cc2OC)c2cc(C(O)=O)c3c4ccccc4ccc3n2)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4487 |
| logD: | 0.3922 |
| logSw: | -6.376 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.747 |
| InChI Key: | RBCIGNOERDIOIY-UHFFFAOYSA-N |