N-5-Quinolinylbenzamide

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Basic information

CAS: 42464-81-3
Standard SMILES: O=C(Nc1cccc2ncccc12)c1ccccc1
InChIKey: YFAPDQWOPMTKOL-UHFFFAOYSA-N
Molecular formula: C16H12N2O
Average molar mass: 248.28 g/mol
Monoisotopic mass: 248.09496301

Names & identifiers

Preferred name: N-5-Quinolinylbenzamide
IUPAC: N-quinolin-5-ylbenzamide

Names & synonyms

N-5-Quinolinylbenzamide42464-81-3RefChem:363043N-(quinolin-5-yl)benzamideN-(5-quinolinyl)benzamideN-quinolin-5-ylbenzamideCambridge id 7101461Oprea1_042008Oprea1_516669SCHEMBL995824CHEMBL3398345phenyl-N-(5-quinolyl)carboxamide

Show more names

DTXSID801314056STL354463AKOS000577960ST45097727ST50627065G87161AM-760/13743027Z29904186

Database identifiers

CAS: 42464-81-3
PubChem CID: 845307
DTXSID: DTXSID801314056
ChEMBL: CHEMBL3398345
Nikkaji: J2.632.090I

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 42 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 19
Formal charge: 0
Complexity: 312

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Compound notes

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