Basic information
- CAS
522621-54-1- Standard SMILES
Cc1ccc(C)c(-c2nc3ccc(C)cc3c(C(=O)O)c2C)c1- InChIKey
GKBNBSYYYRWMSA-UHFFFAOYSA-N- Molecular formula
- C20H19NO2
- Average molar mass
- 305.4 g/mol
- Monoisotopic mass
- 305.14157885
Names & identifiers
- Preferred name
- 2-(2,5-Dimethylphenyl)-3,6-dimethylquinoline-4-carboxylic acid
- IUPAC
- 2-(2,5-dimethylphenyl)-3,6-dimethylquinoline-4-carboxylic acid
- English name
- 2-(2,5-dimethylphenyl)-3,6-dimethyl-4-quinolinecarboxylic acid
- Molecular formula
- C20H19NO2
- Molecular weight
- 305.37036
Names & synonyms
2-(2,5-dimethylphenyl)-3,6-dimethylquinoline-4-carboxylic acidOprea1_638089AK-968/41170270STK450446AKOS003308371NCGC00335715-01ST50830464AB01328469-022-(2,5-dimethylphenyl)-3,6-dimethyl-4-quinolinecarboxylic acid522621-54-1
Database identifiers
- CAS
522621-54-1- PubChem CID
- 842757
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 437
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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