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4(1H)-Quinazolinone

4(1H)-Quinazolinone structure

CAS No:
491-36-1
Formula:
C8H6N2O
Chemical Name:
4(1H)-Quinazolinone
Synonyms:
4(3H)-Quinazolinone;4(1H)-Quinazolinone;4-Quinazolone;4-Quinazolinone;4-Quinazolinol;4-Hydroxyquinazoline;4-Oxoquinazoline;4(3H)-Quinazolone;4-Oxo-3,4-dihydroquinazoline;3,4-Dihydroquinazolin-4-one;NSC 5863;C 201-0583;1H-Quinazolin-4-one;17227-47-3;132305-20-5;134434-34-7
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

Description

4(3H)-Quinazolinone is a building block in chemical synthesis. Biologically active nitrogen heterocyclic compounds. Possesses a wide spectrum of biological properties like antibacterial, antifungal, anticonvulsant, anti-inflammatory, anti-HIV, anticancerous and analgesic activities[1][2].

1H-quinazolin-4-one is a member of quinazolines.

4(1H)-Quinazolinone Basic Attributes

Molecular Weight：

146.15

Exact Mass：

146.15

BRN：

118473

EC Number：

207-735-8

UNII：

84JOT4EY5X

NSC Number：

5863

DSSTox ID：

DTXSID8049412

HScode：

29335995

Characteristics

PSA：

41.5

XLogP3：

0.8

Appearance：

Off-white to light beige Crystalline Powder

Density：

1.3±0.1 g/cm3

Melting Point：

217.5 °C

Boiling Point：

303.5°C at 760 mmHg

Flash Point：

150.2±20.4 °C

Refractive Index：

1.705

Water Solubility：

Soluble in DMSO (100 mM), ethanol, methanol, and water (10 mM).

Storage Conditions：

Desiccate at RT

Safety Information

Hazard category：

IRRITANT

wgk germany：

hazard class code：

36/37/38-22

safety instructions：

26-37/39-36/37/39-22

RTECS Number：

VA2300000

Marks：

Xi,Xn

Stability/Shelf Life：

Stable at room temperature in closed containers under normal storage and handling conditions.

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H302

Drug Information

MeSH Entry Terms：

4(3H)-quinazolinone

4(1H)-Quinazolinone Use and Manufacturing

Uses

4-Hydroxyquinazoline shows anti-microbial and anti-carcinogenic activity as seen in studies due to the quinazoline moiety.

Use Classification：

Environmental transformation -> Pesticide transformation products (metabolite, successor)

Agrochemical：

4-Hydroxyquinazoline is a known environmental transformation product of Fenazaquin.

Computed Properties

Molecular Weight:146.15
XLogP3:0.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Exact Mass:146.048012819
Monoisotopic Mass:146.048012819
Topological Polar Surface Area:41.5
Heavy Atom Count:11
Complexity:200
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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