2-(5-(Biphenyl-4-yl)-2,7-dimethylquinolin-6-yl)-2-tert-butoxyacetic acid
Basic information
- Standard SMILES
Cc1ccc2c(-c3ccc(-c4ccccc4)cc3)c(C(OC(C)(C)C)C(=O)O)c(C)cc2n1- InChIKey
SNINXYVUTURXGA-UHFFFAOYSA-N- Molecular formula
- C29H29NO3
- Average molar mass
- 439.5 g/mol
- Monoisotopic mass
- 439.21474379
Names & identifiers
- Preferred name
- 2-(5-(Biphenyl-4-yl)-2,7-dimethylquinolin-6-yl)-2-tert-butoxyacetic acid
- IUPAC
- 2-[2,7-dimethyl-5-(4-phenylphenyl)quinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
Names & synonyms
SCHEMBL242078SNINXYVUTURXGA-UHFFFAOYSA-N2-(5-(Biphenyl-4-yl)-2,7-dimethylquinolin-6-yl)-2-tert-butoxyacetic acid
Database identifiers
- PubChem CID
- 66630664
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 59.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 644
Related reactions
1 records
Compound notes
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