Basic information
- Standard SMILES
COc1cc(Nc2nccc(Nc3cnc4ccccc4c3)n2)ccc1CC(=O)CN1CCCC1- InChIKey
FHGHVZKJXBLKMJ-UHFFFAOYSA-N- Molecular formula
- C27H28N6O2
- Average molar mass
- 468.5 g/mol
Names & identifiers
- Preferred name
- 3-{2-Methoxy-4-[4-(quinolin-3-ylamino)-pyrimidin-2-ylamino]-phenyl}-1-pyrrolidin-1-yl-propanone
- IUPAC
- 1-[2-methoxy-4-[[4-(quinolin-3-ylamino)pyrimidin-2-yl]amino]phenyl]-3-pyrrolidin-1-ylpropan-2-one
Names & synonyms
SCHEMBL6313144FHGHVZKJXBLKMJ-UHFFFAOYSA-N3-{2-Methoxy-4-[4-(quinolin-3-ylamino)-pyrimidin-2-ylamino]-phenyl}-1-pyrrolidin-1-yl-propanone
Database identifiers
- PubChem CID
- 69738425
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 92.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 674
Related reactions
1 records
Compound notes
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