Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCN(c2ccc3c(c2)CNC(=O)N3)CC1- InChIKey
VMIJCSHJVMGXFK-UHFFFAOYSA-N- Molecular formula
- C17H24N4O3
- Average molar mass
- 332.4 g/mol
- Monoisotopic mass
- 332.18484064
Names & identifiers
- Preferred name
- tert-Butyl 4-(2-oxo-1,2,3,4-tetrahydroquinazolin-6-yl)piperazine-1-carboxylate
- IUPAC
- tert-butyl 4-(2-oxo-3,4-dihydro-1H-quinazolin-6-yl)piperazine-1-carboxylate
Names & synonyms
SCHEMBL17017485VMIJCSHJVMGXFK-UHFFFAOYSA-Ntert-Butyl 4-(2-oxo-1,2,3,4-tetrahydroquinazolin-6-yl)piperazine-1-carboxylate
Database identifiers
- PubChem CID
- 118317160
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 73.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 483
Related reactions
9 records
Compound notes
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