3-AMINO-4(3H)-QUINAZOLINONE 97

The 3-Amino-4(3H)-quinazolinone with the cas number 14663-46-8, is also called 5-24-03-00046 (Beilstein Handbook Reference). The systematic name is 4(3H)-Quinazolinone, 3-amino-. Its molecular formula is C₈H₇N₃O. The classification code of it is Drug / Therapeutic Agent.

The properties of the chemical are: (1)ACD/LogP: 0.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.07; (4)ACD/LogD (pH 7.4): 0.07; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 26.04; (8)ACD/KOC (pH 7.4): 26.04; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 35.91Ų; (13)Index of Refraction: 1.702; (14)Molar Refractivity: 44.08 cm³; (15)Molar Volume: 113.8 cm³; (16)Polarizability: 17.47×10^-24cm³; (17)Surface Tension: 62.7 dyne/cm; (18)Enthalpy of Vaporization: 59.34 kJ/mol; (19)Vapour Pressure: 4.87×10^-5 mmHg at 25°C.

Preparation: This chemical can be prepared by anthranilic acid hydrazide and formic acid.

This reaction needs heating. The reaction time is 8.0 hours. The yield is 87 %.

Uses: This chemical can react with acetic acid anhydride, to product 3-acetylamino-3H-quinazolin-4-one.

The reaction time is 24 hours. The yield is 65 %.

When you are using this chemical, please be cautious about it as the following: (1)Irritating to eyes and skin; (2)In case of contact with eyes, rinse immediately with plenty of water and seek medical advice; (3)Wear suitable protective clothing and gloves.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1c2c(\N=C/N1N)cccc2
(2)InChI: InChI=1/C8H7N3O/c9-11-5-10-7-4-2-1-3-6(7)8(11)12/h1-5H,9H2

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LD50	intraperitoneal	300mg/kg (300mg/kg)		Chimica Therapeutica. Vol. 2, Pg. 202, 1967.