Basic information
- Standard SMILES
NC(=O)c1cccc2c(NCc3cccc(Nc4cc(C(F)(F)F)ccn4)c3)ncnc12- InChIKey
ZRUPMAVIQIYFBJ-UHFFFAOYSA-N- Molecular formula
- C22H17F3N6O
- Average molar mass
- 438.4 g/mol
- Monoisotopic mass
- 438.14159367
Names & identifiers
- Preferred name
- 4-[3-(4-Trifluoromethyl-pyridin-2-ylamino)-benzylamino]-quinazoline-8-carboxylic acid amide
- IUPAC
- 4-[[3-[[4-(trifluoromethyl)-2-pyridinyl]amino]phenyl]methylamino]quinazoline-8-carboxamide
Names & synonyms
4-[3-(4-Trifluoromethyl-pyridin-2-ylamino)-benzylamino]-quinazoline-8-carboxylic acid amideSCHEMBL663412CHEMBL3680543BDBM116814US8637532, 540
Database identifiers
- PubChem CID
- 66761998
- ChEMBL
CHEMBL3680543
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 635
Related reactions
2 records
Compound notes
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