Basic information
- Standard SMILES
COc1ccc(NC(=O)Nc2ccc(Oc3ccnc4cc(OCc5ccccc5)c(C#N)cc34)cc2)cc1- InChIKey
MXUPYAFBMAUAHH-UHFFFAOYSA-N- Molecular formula
- C31H24N4O4
- Average molar mass
- 516.5 g/mol
- Monoisotopic mass
- 516.17975526
Names & identifiers
- Preferred name
- N-(4-(6-Cyano-7-benzyloxy-4-quinolyl)oxyphenyl)-N'-(4-methoxyphenyl)urea
- IUPAC
- 1-[4-(6-cyano-7-phenylmethoxyquinolin-4-yl)oxyphenyl]-3-(4-methoxyphenyl)urea
Names & synonyms
SCHEMBL1893725MXUPYAFBMAUAHH-UHFFFAOYSA-NN-(4-(6-Cyano-7-benzyloxy-4-quinolyl)oxyphenyl)-N'-(4-m ethoxyphenyl)ureaN-(4-(6-Cyano-7-benzyloxy-4-quinolyl)oxyphenyl)-N'-(4-methoxyphenyl)urea
Database identifiers
- PubChem CID
- 22936656
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 811
Related reactions
5 records
Compound notes
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