Basic information
- Standard SMILES
CCOC(=O)C1CCCc2cnc(Nc3ccc(-n4cnc(C)c4)c(F)c3)nc21- InChIKey
BXQBYNNHSGJQIF-UHFFFAOYSA-N- Molecular formula
- C21H22FN5O2
- Average molar mass
- 395.4 g/mol
Names & identifiers
- Preferred name
- Ethyl 2-[3-fluoro-4-(4-methyl-imidazol-1-yl)-phenylamino]-5,6,7,8-tetrahydro-quinazoline-8-carboxylate
- IUPAC
- ethyl 2-[3-fluoro-4-(4-methylimidazol-1-yl)anilino]-5,6,7,8-tetrahydroquinazoline-8-carboxylate
Names & synonyms
SCHEMBL1615872BXQBYNNHSGJQIF-UHFFFAOYSA-NEthyl 2-[3-fluoro-4-(4-methyl-imidazol-1-yl)-phenylamino]-5,6,7,8-tetrahydro-quinazoline-8-carboxylate
Database identifiers
- PubChem CID
- 57780692
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 81.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 567
Related reactions
1 records
Compound notes
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