Basic information
- CAS
879307-42-3- Standard SMILES
Cc1ccccc1CNC(=O)c1ccc2ccccc2n1- InChIKey
DLKGXQSZVJWVQO-UHFFFAOYSA-N- Molecular formula
- C18H16N2O
- Average molar mass
- 276.3 g/mol
- Monoisotopic mass
- 276.12626314
Names & identifiers
- Preferred name
- N-[(2-methylphenyl)methyl]quinoline-2-carboxamide
- IUPAC
- N-[(2-methylphenyl)methyl]quinoline-2-carboxamide
Names & synonyms
N-[(2-methylphenyl)methyl]quinoline-2-carboxamideMLS001176010CHEMBL1482324DTXSID901322709STL189628AKOS025267292879307-42-3SMR000596094N-(2-methylbenzyl)quinoline-2-carboxamideAB00750868-01Z52337373
Database identifiers
- CAS
879307-42-3- PubChem CID
- 9104487
- DTXSID
DTXSID901322709- ChEMBL
CHEMBL1482324
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 42 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 357
Experimental & physicochemical properties
Solubility9.2 [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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