Basic information
- Standard SMILES
Cc1c(-c2cncc(S(C)(=O)=O)c2)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)cnc1N1CCOCC1- InChIKey
MKTRVSGPGDCYAX-UHFFFAOYSA-N- Molecular formula
- C29H30F2N6O4S
- Average molar mass
- 596.6 g/mol
Names & identifiers
- Preferred name
- N-(2,5-Dimorpholinopyridin-3-yl)-5,7-difluoro-3-methyl-2-(5-(methylsulfonyl)pyridin-3-yl)quinolin-4-amine
- IUPAC
- N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-(5-methylsulfonyl-3-pyridinyl)quinolin-4-amine
Names & synonyms
SCHEMBL2712315MKTRVSGPGDCYAX-UHFFFAOYSA-NN-(2,5-Dimorpholinopyridin-3-yl)-5,7-difluoro-3-methyl-2-(5-(methylsulfonyl)pyridin-3-yl)quinolin-4-amine
Database identifiers
- PubChem CID
- 50907186
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 6
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 997
Related reactions
1 records
Compound notes
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