Basic information
- Standard SMILES
O=C(O)c1ccc(-c2cnc3ncc(Cc4ccc5ncccc5c4)n3n2)cc1Cl- InChIKey
IUINYDUWVRLZHY-UHFFFAOYSA-N- Molecular formula
- C22H14ClN5O2
- Average molar mass
- 415.8 g/mol
Names & identifiers
- Preferred name
- 2-Chloro-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzoic acid
- IUPAC
- 2-chloro-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzoic acid
Names & synonyms
SCHEMBL1697091IUINYDUWVRLZHY-UHFFFAOYSA-N2-Chloro-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]-triazin-2-yl]benzoic acid2-chloro-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzoic acid
Database identifiers
- PubChem CID
- 58417077
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 93.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 624
Related reactions
5 records
Compound notes
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