CAS No.78754-92-4,Imidazo(1,2-C)quinazoline-2,5(3H,6H)-dione Suppliers

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Basic Information

Molecular Structure:
CAS No.:	78754-92-4
Name:	Imidazo(1,2-C)quinazoline-2,5(3H,6H)-dione

Formula:	C₁₀H₇N₃O₂
Molecular Weight:	201.184
Synonyms:	3,6-Dihydroimidazo[1,2-c]quinazoline-2,5-dione;
Density:	1.63 g/cm³
PSA:	67.22000
LogP:	-0.79390

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Specification

The CAS registry number of Imidazo[1,2-c]quinazoline-2,5(3H,6H)-dione is 78754-92-4. This chemical's molecular formula is C₁₀H₇N₃O₂ and molecular weight is 201.18. What's more, its IUPAC name is called 3,6-Dihydroimidazo[1,2-c]quinazoline-2,5-dione.

Physical properties about Imidazo[1,2-c]quinazoline-2,5(3H,6H)-dione are: (1)ACD/LogP: 0.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.16; (4)ACD/LogD (pH 7.4): 0.16; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 29.02; (8)ACD/KOC (pH 7.4): 29.02; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 52.98 Å²; (13)Index of Refraction: 1.805; (14)Molar Refractivity: 52.74 cm³; (15)Molar Volume: 122.8 cm³; (16)Surface Tension: 74.6 dyne/cm; (17)Density: 1.63 g/cm³.

Preparation of Imidazo[1,2-c]quinazoline-2,5(3H,6H)-dione: this chemical can be prepared by 2-(3-Ethoxycarbonylmethylureido)benzonitrile. This reaction needs reagent triethylamine and solvent ethanol at temperature of 100 °C. The reaction time is 15 min. The yield is 100 %.

Imidazo[1,2-c]quinazoline-2,5(3H,6H)-dione can be prepared by 2-(3-Ethoxycarbonylmethylureido)benzonitrile.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C2Nc3c(/C1=N/C(=O)CN12)cccc3
(2) InChI: InChI=1S/C10H7N3O2/c14-8-5-13-9(12-8)6-3-1-2-4-7(6)11-10(13)15/h1-4H,5H2,(H,11,15)
(3) InChIKey: SIVNTQIFUAJADI-UHFFFAOYSA-N