Basic information
- Standard SMILES
COc1cc2c(NC(C)C)ncnc2cc1OCCCCSC- InChIKey
UEOCMUGWHQQZFL-UHFFFAOYSA-N- Molecular formula
- C17H25N3O2S
- Average molar mass
- 335.5 g/mol
- Monoisotopic mass
- 335.16674822
Names & identifiers
- Preferred name
- Isopropyl-[6-methoxy-7-(4-methylsulphanylbutoxy)quinazolin-4-yl]amine
- IUPAC
- 6-methoxy-7-(4-methylsulfanylbutoxy)-N-propan-2-ylquinazolin-4-amine
Names & synonyms
SCHEMBL1706532UEOCMUGWHQQZFL-UHFFFAOYSA-NIsopropyl-[6-methoxy-7-(4-methylsulphanylbutoxy)quinazolin-4-yl]amine
Database identifiers
- PubChem CID
- 57788016
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 81.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 333
Related reactions
2 records
Compound notes
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