Basic information
- CAS
120075-57-2- Standard SMILES
COC1=CC(=O)c2ncnc(NCCCN(C)C)c2C1=O- InChIKey
XMEQVWNXYMYXAB-UHFFFAOYSA-N- Molecular formula
- C14H18N4O3
- Average molar mass
- 290.32 g/mol
- Monoisotopic mass
- 290.13789045
Names & identifiers
- Preferred name
- 6-Methoxy-4-(3-(N,N-dimethylamino)propylamino)-5,8-quinazolinedione
- IUPAC
- 4-[3-(dimethylamino)propylamino]-6-methoxyquinazoline-5,8-dione
Names & synonyms
120075-57-26-Methoxy-4-(3-(N,N-dimethylamino)propylamino)-5,8-quinazolinedioneCHEMBL141626DTXSID201526714-{[3-(dimethylamino)propyl]amino}-6-methoxyquinazoline-5,8-dione
Database identifiers
- CAS
120075-57-2- PubChem CID
- 147491
- DTXSID
DTXSID20152671- ChEMBL
CHEMBL141626- Nikkaji
- J360.435G
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 84.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 436
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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