Basic information
- Standard SMILES
CC#CC(=O)Nc1ccc2ncnc(Nc3cccc(N(C)C)c3)c2c1- InChIKey
NSFLGVMFWXTHJI-UHFFFAOYSA-N- Molecular formula
- C20H19N5O
- Average molar mass
- 345.4 g/mol
Names & identifiers
- Preferred name
- But-2-ynoic acid [4-(3-dimethylamino-phenylamino)-quinazolin-6-yl]-amide
- IUPAC
- N-[4-[3-(dimethylamino)anilino]quinazolin-6-yl]but-2-ynamide
Names & synonyms
SCHEMBL30115352NSFLGVMFWXTHJI-UHFFFAOYSA-NBut-2-ynoic acid [4-(3-dimethylamino-phenylamino)-quinazolin-6-yl]-amide
Database identifiers
- PubChem CID
- 9946151
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 70.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 551
Related reactions
1 records
Compound notes
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