Basic information
- Standard SMILES
COc1cccc2c1ncc1c(=O)n(-c3ccc4c(c3)OCCO4)c(=O)n(C3CCCC3)c12- InChIKey
FUOSKBKPXMUPKQ-UHFFFAOYSA-N- Molecular formula
- C25H23N3O5
- Average molar mass
- 445.5 g/mol
Names & identifiers
- Preferred name
- 1-Cyclopentyl-3-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-7-methoxy-1H-pyrimido[5,4-c]quinoline-2,4-dione
- IUPAC
- 1-cyclopentyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methoxypyrimido[5,4-c]quinoline-2,4-dione
Names & synonyms
SCHEMBL2018139CHEMBL3958464FUOSKBKPXMUPKQ-UHFFFAOYSA-N1-Cyclopentyl-3-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-7-methoxy-1H-pyrimido[5,4-c]quinoline-2,4-dione
Database identifiers
- PubChem CID
- 58329469
- ChEMBL
CHEMBL3958464
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 81.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 758
Related reactions
5 records
Compound notes
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