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Basic information
- Standard SMILES
CC(C)[C@@H](NC(=O)OC(C)(C)C)c1nc2cc(Cl)ccc2c(=O)[nH]1- InChIKey
BLRTUURALCNCGV-CYBMUJFWSA-N- Molecular formula
- C17H22ClN3O3
- Average molar mass
- 351.8 g/mol
- Monoisotopic mass
- 351.1349693
Names & identifiers
- Preferred name
- (R)-[1-(7-chloro-4-oxo-3,4-dihydro-quinazolin-2-yl)-2-methylpropyl]-carbamic acid tert-butyl ester
- IUPAC
- tert-butyl N-[(1R)-1-(7-chloro-4-oxo-3H-quinazolin-2-yl)-2-methylpropyl]carbamate
Names & synonyms
SCHEMBL5649621BLRTUURALCNCGV-CYBMUJFWSA-N(R)-[1-(7-chloro-4-oxo-3,4-dihydro-quinazolin-2-yl)-2-methylpropyl]-carbamic acid tert-butyl ester
Database identifiers
- PubChem CID
- 136376397
Properties
Computed structural propertiesFilling in
- XLogP
- 3.4
- Topological polar surface area
- 79.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 528
Related reactions
4 records
Compound notes
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