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Molecule record

4-chloroquinazoline

C8H5ClN2

164.59 g/mol

Loading structure

Molecular properties

Formula
C8H5ClN2
Molar mass
164.59 g·mol−1
Exact mass
164.0141 Da
7
PubChem CID
78864

Functional groups

Aromatic ring
Aryl halide

Physical properties

No source-backed physical properties are curated for this molecule yet.

Common names and synonyms

  • 4-Chloro-quinazoline
  • 4-Chloroquinazoline, 97%
  • 5190-68-1
  • 625-876-7
  • AKOS000122828
  • BDBM50396785
  • CHEMBL2172707
  • CS-W013243
Show all 24 synonyms
  • DTXCID00122357
  • DTXSID40199866
  • EN300-13896
  • F9995-0062
  • GVRRXASZZAKBMN-UHFFFAOYSA-N
  • MFCD00228682
  • NSC 53480
  • NSC53480
  • Quinazoline, 4-chloro-
  • Quinazoline, 4-chloro-(8CI)
  • Quinazoline, 4-chloro-(8CI)(9CI)
  • RefChem:98620
  • SCHEMBL25620
  • STK502714
  • SY002173
  • Z119990038

Structure identifiers

Canonical SMILES
Clc1ncnc2ccccc12
Isomeric SMILES
C1=CC=C2C(=C1)C(=NC=N2)Cl
InChI
InChI=1S/C8H5ClN2/c9-8-6-3-1-2-4-7(6)10-5-11-8/h1-5H
InChIKey
GVRRXASZZAKBMN-UHFFFAOYSA-N
PubChem CID
78864

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library
No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for 4-chloroquinazoline; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 4-chloroquinazoline; not experimental data.

Sources

Molecule identity

Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)
Open source record