Basic information
- Standard SMILES
CN(C)CCNc1ccc(Nc2c(C(=O)C3CC3)cnc3ccc(-c4cc(Cl)c(O)c(Cl)c4)cc23)cn1.Cl.Cl.Cl- InChIKey
NHRBDPIGLUCYCJ-UHFFFAOYSA-N- Molecular formula
- C28H30Cl5N5O2
- Average molar mass
- 645.8 g/mol
Names & identifiers
- Preferred name
- Cyclopropyl(6-(3,5-dichloro-4-hydroxyphenyl)-4-((6-((2-(dimethylamino)ethyl)amino)pyridin-3-yl)amino)quinolin-3-yl)methanone trihydrochloride
- IUPAC
- cyclopropyl-[6-(3,5-dichloro-4-hydroxyphenyl)-4-[[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]amino]quinolin-3-yl]methanone;trihydrochloride
Names & synonyms
SCHEMBL530716NHRBDPIGLUCYCJ-UHFFFAOYSA-Ncyclopropyl(6-(3,5-dichloro-4-hydroxyphenyl)-4-((6-((2-(dimethylamino)ethyl)amino)pyridin-3-yl)amino)quinolin-3-yl)methanone trihydrochloride
Database identifiers
- PubChem CID
- 66716364
Properties
Computed structural properties
- Topological polar surface area
- 90.4 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 759
Related reactions
1 records
Compound notes
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