4-[(4,5-Dimethoxy-2-methylphenyl)methoxy]quinazoline
Basic information
- CAS
851460-41-8- Standard SMILES
COc1cc(C)c(COc2ncnc3ccccc23)cc1OC- InChIKey
KZBXXRZUCZYSQK-UHFFFAOYSA-N- Molecular formula
- C18H18N2O3
- Average molar mass
- 310.3 g/mol
- Monoisotopic mass
- 310.13174244
Names & identifiers
- Preferred name
- 4-[(4,5-Dimethoxy-2-methylphenyl)methoxy]quinazoline
- IUPAC
- 4-[(4,5-dimethoxy-2-methylphenyl)methoxy]quinazoline
Names & synonyms
4-[(4,5-dimethoxy-2-methylphenyl)methoxy]quinazolineMLS001172200CHEMBL1700702DTXSID201325445HMS1731B01HMS2893D19AKOS033944749851460-41-8SMR000592805
Database identifiers
- CAS
851460-41-8- PubChem CID
- 4882717
- DTXSID
DTXSID201325445- ChEMBL
CHEMBL1700702
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 53.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 368
Experimental & physicochemical properties
Solubility40.1 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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