Basic information
- Standard SMILES
CC(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)nc2c1Nc1ccc(CN2CCN(C)CC2)cc1.Cl.Cl.Cl- InChIKey
LMSWUPFKBBXJRE-UHFFFAOYSA-N- Molecular formula
- C28H30Cl5N5O2
- Average molar mass
- 645.8 g/mol
Names & identifiers
- Preferred name
- 1-(6-(3,5-Dichloro-4-hydroxyphenyl)-4-(4-((4-methylpiperazin-1-yl)methyl)-phenylamino)-1,5-naphthyridin-3-yl)ethanone trihydrochloride
- IUPAC
- 1-[6-(3,5-dichloro-4-hydroxyphenyl)-4-[4-[(4-methylpiperazin-1-yl)methyl]anilino]-1,5-naphthyridin-3-yl]ethanone;trihydrochloride
Names & synonyms
SCHEMBL16336443LMSWUPFKBBXJRE-UHFFFAOYSA-N1-(6-(3,5-Dichloro-4-hydroxyphenyl)-4-(4-((4-methylpiperazin-1-yl)methyl)-phenylamino)-1,5-naphthyridin-3-yl)ethanone trihydrochloride
Database identifiers
- PubChem CID
- 136266733
Properties
Computed structural properties
- Topological polar surface area
- 81.6 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 749
Related reactions
2 records
Compound notes
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