4-(6-Fluoro-7-morpholin-4-yl-quinazolin-4-yl)-piperidine-1-carboxylic acid (4-pyrrolidin-1-yl-phenyl)-amide
Basic information
- Standard SMILES
O=C(Nc1ccc(N2CCCC2)cc1)N1CCC(c2ncnc3cc(N4CCOCC4)c(F)cc23)CC1- InChIKey
PKWOCEZVLQABOY-UHFFFAOYSA-N- Molecular formula
- C28H33FN6O2
- Average molar mass
- 504.6 g/mol
- Monoisotopic mass
- 504.26490248
Names & identifiers
- Preferred name
- 4-(6-Fluoro-7-morpholin-4-yl-quinazolin-4-yl)-piperidine-1-carboxylic acid (4-pyrrolidin-1-yl-phenyl)-amide
- IUPAC
- 4-(6-fluoro-7-morpholin-4-ylquinazolin-4-yl)-N-(4-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide
Names & synonyms
SCHEMBL12049482PKWOCEZVLQABOY-UHFFFAOYSA-N4-(6-Fluoro-7-morpholin-4-yl-quinazolin-4-yl)-piperidine-1-carboxylic acid (4-pyrrolidin-1-yl-phenyl)-amide
Database identifiers
- PubChem CID
- 58770652
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 73.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 747
Related reactions
2 records
Compound notes
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