6-Hydroxy-7-methoxy-3,4-dihydroquinazolin-4-one

CAS 179688-52-9  ·  C9H8N2O3  ·  MW 192.17 g/mol

Full record: 6-Hydroxy-7-methoxy-3,4-dihydroquinazolin-4-one — Safety Data Sheet →

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3D model 6-Hydroxy-7-methoxy-3,4-dihydroquinazolin-4-one, CAS 179688-52-9, molecular formula C9H8N2O3, molar mass 192.17 g/mol

Model views

  • 6-Hydroxy-7-methoxy-3,4-dihydroquinazolin-4-one (CAS 179688-52-9) – ball-and-stick 3D model, MolGod Viewer
    ball-and-stick 3D model
  • 6-Hydroxy-7-methoxy-3,4-dihydroquinazolin-4-one (CAS 179688-52-9) – skeletal 3D model, MolGod Viewer
    skeletal 3D model
  • space-filling 3D model – rotation animation
  • 6-Hydroxy-7-methoxy-3,4-dihydroquinazolin-4-one (CAS 179688-52-9) – 2D structure, MolGod Viewer
    2D structure

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About 6-Hydroxy-7-methoxy-3,4-dihydroquinazolin-4-one

6-Hydroxy-7-methoxy-3,4-dihydroquinazolin-4-one is a chemical compound registered under number CAS 179688-52-9, with the molecular formula C9H8N2O3, and a molar mass of 192.17 g/mol.

The molecule contains 22 atoms connected by 23 chemical bonds. The full systematic IUPAC name of this compound is 6-hydroxy-7-methoxy-3H-quinazolin-4-one. The interactive 3D model above lets you view the spatial arrangement of the atoms — you can rotate it with the mouse, zoom with the scroll wheel, and switch between skeletal / Ball & Stick / Space Fill visualization modes.

In terms of physicochemical properties, the partition coefficient logP = 0.3 (positive value, a lipophilic compound), polar surface area PSA = 70.9 Ų, 2 donors and 4 hydrogen bond acceptors. These parameters are key when assessing bioavailability and interaction with biomolecules.

Chemical data for this compound comes from PubChem (NIH NLM NCBI), one of the world's largest chemical databases. All information is updated automatically and enriched with GHS hazard statement translations compliant with the CLP Regulation (EC 1272/2008). The interactive 3D model and the viewer images are protected by copyright (© MolGod.org) — terms of use: molgod.org/copyright/.

Physicochemical properties
Molecular formulaC9H8N2O3
Molar mass192.17 g/mol
IUPAC6-hydroxy-7-methoxy-3H-quinazolin-4-one
SMILESCOC1=C(C=C2C(=C1)N=CNC2=O)O
InChIKeyOKZIRNNFVQCDSA-UHFFFAOYSA-N
logP (XLogP3)0.3
PSA70.9 Ų
HBD / HBA2 / 4
PubChem CIDCID 135446413 ↗
GHS safety

Signal word: Danger

GHS06
GHS06

H301 — Toxic if swallowed

Scientific literature

Brak articles naukowych dla CAS 179688-52-9 w PubMed / OpenAlex / Semantic Scholar.

Synonyms
6-Hydroxy-7-methoxy-3,4-dihydroquinazolin-4-one · 6-Hydroxy-7-methoxy-4(3H)-Quinazolinone · RefChem:543417 · 634-959-7 · 179688-52-9 · 6-Hydroxy-7-methoxyquinazolin-4(1H)-one · 6-hydroxy-7-methoxyquinazolin-4(3H)-one · 6-hydroxy-7-methoxy-1H-quinazolin-4-one · 6-Hydroxy-7-methoxy-3H-Quinazolin-4-one · MFCD07787563 · 4(3H)-QUINAZOLINONE, 6-HYDROXY-7-METHOXY- · 4(1H)-Quinazolinone, 6-hydroxy-7-methoxy- · 7-METHOXYQUINAZOLINE-4,6-DIOL · 6-Hydroxy-7-methoxy-4(1H)-quinazolinone · 7-Methoxy-quinazoline-4,6-diol
Data sources
Related molecules
📜 License & provenanceMolGod_License_1
COMPUTED — PubChem3D · 3D conformer computed by PubChem using OMEGA; not an experimental structure.
Model
6-Hydroxy-7-methoxy-3,4-dihydroquinazolin-4-one · 179688-52-9
InChIKey
OKZIRNNFVQCDSA-UHFFFAOYSA-N
License
CC BY-SA 4.0 International
Attribution
MolGod Scientific — 6-Hydroxy-7-methoxy-3,4-dihydroquinazolin-4-one (CAS 179688-52-9)
License & provenance record
6-Hydroxy-7-methoxy-3,4-dihydroquinazolin-4-one (CAS 179688-52-9) →
MolGod molecule record
6-Hydroxy-7-methoxy-3,4-dihydroquinazolin-4-one →
Source data
PubChem CID 135446413 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
47a405be5346975253cefa9a3d3087d4fd5484b0bd7efedf4c5cc5c9c2cd2882
MD5 (STL)
2a5cdffcca95bd93f38963f90c59547c
MolGod Identification Number
MG_333-056-981-62
Transformation
MolGod Scientific ball-and-stick mesh
Changes
Converted into a triangulated molecular mesh; atomic coordinates and connectivity unchanged.
Wikimedia Commons
not published yet
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