2-[2-(3-Nitrophenyl)ethenyl]quinoline

HCID 224964

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 7251-91-4
Standard SMILES: O=[N+]([O-])c1cccc(C=Cc2ccc3ccccc3n2)c1
InChIKey: URIXDBULDXTIHZ-UHFFFAOYSA-N
Molecular formula: C17H12N2O2
Average molar mass: 276.29 g/mol
Monoisotopic mass: 276.08987763

Names & identifiers

Preferred name: 2-[2-(3-Nitrophenyl)ethenyl]quinoline
IUPAC: 2-[2-(3-nitrophenyl)ethenyl]quinoline

Names & synonyms

2-[2-(3-nitrophenyl)ethenyl]quinolineSCHEMBL6797020URIXDBULDXTIHZ-UHFFFAOYSA-NDTXSID4012876012-[2-(3-nitrophenyl)vinyl]quinolineAKOS030231009SB717663-[2-(quinolin-2-yl)ethenyl]nitrobenzene

Database identifiers

CAS: 7251-91-4
PubChem CID: 224964
DTXSID: DTXSID401287601

Properties

Computed structural properties

XLogP: 4.3
Topological polar surface area: 58.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 21
Formal charge: 0
Complexity: 391

Related reactions

4 records

New reaction record

HRID 1088453As productuspto-grants-1990_10

HRID 1220479As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 1538783As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 2350544As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

Loading…