Basic information
- Standard SMILES
CCNC(=O)Nc1ccc(Oc2ccnc3cc(OC)c(C(=O)NCCC#N)cc23)cc1F- InChIKey
RTEIDPNMIHKCTL-UHFFFAOYSA-N- Molecular formula
- C23H22FN5O4
- Average molar mass
- 451.4 g/mol
- Monoisotopic mass
- 451.16558236
Names & identifiers
- Preferred name
- 4-(4-(3-Ethylureido)-3-fluoro-phenoxy)-7-methoxyquinoline-6-carboxylic acid (2-cyanoethyl)amide
- IUPAC
- N-(2-cyanoethyl)-4-[4-(ethylcarbamoylamino)-3-fluorophenoxy]-7-methoxyquinoline-6-carboxamide
Names & synonyms
SCHEMBL1249561RTEIDPNMIHKCTL-UHFFFAOYSA-N4-(4-(3-Ethylureido)-3-fluoro-phenoxy)-7-methoxyquinoline-6-carboxylic acid (2-cyanoethyl)amide
Database identifiers
- PubChem CID
- 11640979
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 716
Related reactions
5 records
Compound notes
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