Basic information
- Standard SMILES
CNC1CCN(c2ccc(Nc3c(C(C)=O)cnc4ccc(-c5cc(F)c(O)c(Cl)c5)cc34)cn2)C1.Cl.Cl.Cl- InChIKey
DOHIHJUGENSIAN-UHFFFAOYSA-N- Molecular formula
- C27H28Cl4FN5O2
- Average molar mass
- 615.3 g/mol
Names & identifiers
- Preferred name
- 1-(6-(3-Chloro-5-fluoro-4-hydroxyphenyl)-4-((6-(3-(methylamino)pyrrolidin-1-yl)pyridin-3-yl)amino)quinolin-3-yl)ethanone trihydrochloride
- IUPAC
- 1-[6-(3-chloro-5-fluoro-4-hydroxyphenyl)-4-[[6-[3-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]amino]quinolin-3-yl]ethanone;trihydrochloride
Names & synonyms
SCHEMBL530669DOHIHJUGENSIAN-UHFFFAOYSA-N1-(6-(3-chloro-5-fluoro-4-hydroxyphenyl)-4-((6-(3-(methylamino)pyrrolidin-1-yl)pyridin-3-yl)amino)quinolin-3-yl)ethanone trihydrochloride
Database identifiers
- PubChem CID
- 66716331
Properties
Computed structural properties
- Topological polar surface area
- 90.4 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 764
Related reactions
1 records
Compound notes
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