4(1H)-Quinazolinone

CAS 491-36-1  ·  C8H6N2O  ·  MW 146.15 g/mol

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3D model 4(1H)-Quinazolinone, CAS 491-36-1, molecular formula C8H6N2O, molar mass 146.15 g/mol
About 4(1H)-Quinazolinone

4(1H)-Quinazolinone is a chemical compound registered under number CAS 491-36-1, with the molecular formula C8H6N2O, and a molar mass of 146.15 g/mol.

The molecule contains 17 atoms connected by 18 chemical bonds. The full systematic IUPAC name of this compound is 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 = 0.7 (positive value, a lipophilic compound), polar surface area PSA = 41.5 Ų, 1 donors and 2 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 widget above may be used for educational, research and commercial purposes.

Physicochemical properties
Molecular formulaC8H6N2O
Masa molowa146.15 g/mol
IUPAC3H-quinazolin-4-one
SMILESC1=CC=C2C(=C1)C(=O)NC=N2
InChIKeyQMNUDYFKZYBWQX-UHFFFAOYSA-N
logP (XLogP3)0.7
PSA41.5 Ų
HBD / HBA1 / 2
PubChem CIDCID 135408753 ↗
GHS safety

Signal word: Warning

GHS07
GHS07

H302 — Działa szkodliwie po połknięciu

H315 — Działa drażniąco na skórę

H319 — Działa drażniąco na oczy

H335 — Może powodować podrażnienie dróg oddechowych

Scientific literature

Related literature

15 articles · 8 open access · Sources: PubMed, OpenAlex, Semantic Scholar

Filtry:Eksport:📄 BibTeX📑 RIS📋 EndNote🔧 CSL-JSON

📈 Publication timeline (15 articles)

2015: 1 articles20152016: 1 articles2018: 1 articles2019: 1 articles2020: 2 articles20202022: 2 articles2023: 5 articles2024: 2 articles2024

Bar height = number of articles per year. Hover dla szczegółów.

Dane z PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary wygenerowane przez Semantic Scholar TLDR. Artykuły z ikoną wymagają płatnego dostępu.

Synonyms
4-Hydroxyquinazoline · 491-36-1 · 4(3H)-Quinazolinone · 4-Quinazolone · 4(1H)-Quinazolinone · 3H-Quinazolin-4-one · quinazolin-4-one · 84JOT4EY5X · DTXCID7029372 · RefChem:524083 · quinazolin-4(3H)-one · Quinazolin-4-ol · 4-Quinazolinol · 4-Quinazolinone · 3,4-Dihydroquinazolin-4-one
Data sources
Related molecules
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License & Provenance

MolGod 3D molecular model
4(1H)-Quinazolinone — CAS 491-36-1

License: CC BY-SA 4.0 (source rights NIEUSTALONE — not yet granted for this model)

MolGod License & Provenance Record:
4(1H)-Quinazolinone (CAS 491-36-1) — License & Provenance

Source:
4(1H)-Quinazolinone (CAS 491-36-1) — MolGod molecule record

Source data: PubChem CID 135408753

STL: Download 3D model (350 KB)

SHA-256: 3c92ad13123dd33a91a74eb6622e900de6e1622f95a8e58feda4c9a9ee6be75c

Wikimedia Commons: not published yet

Source data: PubChem CID 135408753

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