N-(4-methoxybenzyl)-2-quinolinecarboxamide

HCID 800754

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Basic information

CAS: 345987-54-4
Standard SMILES: COc1ccc(CNC(=O)c2ccc3ccccc3n2)cc1
InChIKey: DMWFTKKYRRMNFV-UHFFFAOYSA-N
Molecular formula: C18H16N2O2
Average molar mass: 292.3 g/mol
Monoisotopic mass: 292.12117776

Names & identifiers

Preferred name: N-(4-methoxybenzyl)-2-quinolinecarboxamide
IUPAC: N-[(4-methoxyphenyl)methyl]quinoline-2-carboxamide

Names & synonyms

N-(4-methoxybenzyl)-2-quinolinecarboxamide345987-54-4N-[(4-methoxyphenyl)methyl]quinoline-2-carboxamideCambridge id 6942317Oprea1_472503MLS001163363CHEMBL1310277DTXSID001325706HMS2823C11STL197497AKOS003246960SMR000497295

Show more names

ST088617N-(4-methoxybenzyl)quinoline-2-carboxamideN-[(4-methoxyphenyl)methyl]-2-quinolylcarboxamideSR-01000246713SR-01000246713-1Z30871264

Database identifiers

CAS: 345987-54-4
PubChem CID: 800754
DTXSID: DTXSID001325706
ChEMBL: CHEMBL1310277

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 51.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 22
Formal charge: 0
Complexity: 366

Experimental & physicochemical properties

Solubility18.4 [ug/mL] (The mean of the results at pH 7.4)

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