Basic information
- Standard SMILES
COc1ccc2c(OCc3nnc4ccc(-c5ccc(C(=O)O)c(Cl)c5)nn34)ccnc2c1- InChIKey
WQOLPAVDTQDZES-UHFFFAOYSA-N- Molecular formula
- C23H16ClN5O4
- Average molar mass
- 461.9 g/mol
Names & identifiers
- Preferred name
- 2-Chloro-4-(3-((7-methoxyquinolin-4-yloxy)methyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)benzoic acid
- IUPAC
- 2-chloro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzoic acid
Names & synonyms
SCHEMBL2699335WQOLPAVDTQDZES-UHFFFAOYSA-N2-chloro-4-(3-((7-methoxyquinolin-4-yloxy)methyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)benzoic acid
Database identifiers
- PubChem CID
- 25065752
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 689
Related reactions
5 records
Compound notes
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