N-(4-nitrophenyl)quinoline-2-carboxamide

Substructure search Find similar structures

Basic information

CAS: 22765-58-8
Standard SMILES: O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc2ccccc2n1
InChIKey: KDMFKOCHLDSHAO-UHFFFAOYSA-N
Molecular formula: C16H11N3O3
Average molar mass: 293.28 g/mol
Monoisotopic mass: 293.08004122

Names & identifiers

Preferred name: N-(4-nitrophenyl)quinoline-2-carboxamide
IUPAC: N-(4-nitrophenyl)quinoline-2-carboxamide

Names & synonyms

N-(4-nitrophenyl)quinoline-2-carboxamide22765-58-82-Quinolinecarboxamide, N-(4-nitrophenyl)-Cambridge id 6029878Oprea1_765113SCHEMBL28007956DTXSID20387103AKOS001188614N-(4-nitrophenyl)-2-quinolinecarboxamideSR-01000391768SR-01000391768-1Z56757915

Database identifiers

CAS: 22765-58-8
PubChem CID: 2880975
DTXSID: DTXSID20387103
Nikkaji: J2.152.073J

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 87.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 22
Formal charge: 0
Complexity: 415

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…