Basic information
- Standard SMILES
COc1cc(Nc2c(C#N)cnc3cc(OCCOCCN4CCNCC4)c(OC)cc23)c(Cl)cc1Cl- InChIKey
FFLOUGHZSSJEFD-UHFFFAOYSA-N- Molecular formula
- C26H29Cl2N5O4
- Average molar mass
- 546.4 g/mol
Names & identifiers
- Preferred name
- 4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-7-{2-[2-(1-piperazinyl)-ethoxy]ethoxy)-3-quinolinecarbonitrile
- IUPAC
- 4-(2,4-dichloro-5-methoxyanilino)-6-methoxy-7-[2-(2-piperazin-1-ylethoxy)ethoxy]quinoline-3-carbonitrile
Names & synonyms
SCHEMBL6181998FFLOUGHZSSJEFD-UHFFFAOYSA-N4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-{2-[2-(1-piperazinyl)-ethoxy]ethoxy)-3-quinolinecarbonitrile
Database identifiers
- PubChem CID
- 10460102
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 11
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 739
Related reactions
2 records
Compound notes
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