Basic information
- CAS
750620-33-8- Standard SMILES
CC(C)(C)c1ccccc1NC(=O)c1cc(-c2ccncc2)nc2ccccc12- InChIKey
BIYDMEPZRBKIDI-UHFFFAOYSA-N- Molecular formula
- C25H23N3O
- Average molar mass
- 381.5 g/mol
- Monoisotopic mass
- 381.18411237
Names & identifiers
- Preferred name
- N-(2-tert-butylphenyl)-2-pyridin-4-ylquinoline-4-carboxamide
- IUPAC
- N-(2-tert-butylphenyl)-2-pyridin-4-ylquinoline-4-carboxamide
Names & synonyms
N-(2-tert-butylphenyl)-2-pyridin-4-ylquinoline-4-carboxamideMLS002248585CHEMBL1729320DTXSID501320868HMS3093L22AKOS033963456750620-33-8SMR001316046Z26410239N-(2-tert-butylphenyl)-2-(pyridin-4-yl)quinoline-4-carboxamide
Database identifiers
- CAS
750620-33-8- PubChem CID
- 2386554
- DTXSID
DTXSID501320868- ChEMBL
CHEMBL1729320
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 54.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 551
Experimental & physicochemical properties
Solubility10.8 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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