Basic information
- Standard SMILES
COc1ccc(Cn2c(=O)c3cc(I)ccc3n(C3CCOCC3)c2=O)cc1OC- InChIKey
MXOKPKMENSYDDB-UHFFFAOYSA-N- Molecular formula
- C22H23IN2O5
- Average molar mass
- 522.3 g/mol
- Monoisotopic mass
- 522.06517
Names & identifiers
- Preferred name
- 3-(3,4-dimethoxybenzyl)-6-iodo-1-(tetrahydro-2H-pyran-4-yl)-quinazoline-2,4(1H,3H)-dione
- IUPAC
- 3-[(3,4-dimethoxyphenyl)methyl]-6-iodo-1-(oxan-4-yl)quinazoline-2,4-dione
Names & synonyms
SCHEMBL583174MXOKPKMENSYDDB-UHFFFAOYSA-N3-(3,4-dimethoxybenzyl)-6-iodo-1-(tetrahydro-2H-pyran-4-yl)-quinazoline-2,4(1H,3H)-dione
Database identifiers
- PubChem CID
- 49764532
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 68.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 629
Related reactions
2 records
Compound notes
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