Basic information
- Standard SMILES
C#CCC(NC(=O)OC(C)(C)C)c1nc2cc(Cl)ccc2c(=O)n1Nc1ccccc1- InChIKey
YFYWVTJUISZJNZ-UHFFFAOYSA-N- Molecular formula
- C23H23ClN4O3
- Average molar mass
- 438.9 g/mol
Names & identifiers
- Preferred name
- tert-butyl N-[1-(3-anilino-7-chloro-4-oxoquinazolin-2-yl)but-3-ynyl]carbamate
- IUPAC
- tert-butyl N-[1-(3-anilino-7-chloro-4-oxoquinazolin-2-yl)but-3-ynyl]carbamate
Names & synonyms
SCHEMBL2396950
Database identifiers
- PubChem CID
- 76595877
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 83 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 748
Related reactions
1 records
Compound notes
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