Basic information
- Standard SMILES
Cc1[nH]c2ccc(Oc3ccnc4cc(OCCCN5CCS(=O)(=O)CC5)c(C#N)cc34)cc2c1C- InChIKey
SRPTWIZIVZDCDR-UHFFFAOYSA-N- Molecular formula
- C27H28N4O4S
- Average molar mass
- 504.6 g/mol
- Monoisotopic mass
- 504.18312656
Names & identifiers
- Preferred name
- 6-Cyano-4-(2,3-dimethylindol-5-yloxy)-7-(3-(1,1-dioxothiomorpholino)propoxy)quinoline
- IUPAC
- 4-[(2,3-dimethyl-1H-indol-5-yl)oxy]-7-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propoxy]quinoline-6-carbonitrile
Names & synonyms
SCHEMBL4666067SRPTWIZIVZDCDR-UHFFFAOYSA-N6-cyano-4-(2,3-dimethylindol-5-yloxy)-7-(3-(1,1-dioxothiomorpholino)propoxy)quinoline
Database identifiers
- PubChem CID
- 10141972
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 887
Related reactions
1 records
Compound notes
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