Indolo[2',3':3,4]pyrido[2,1-b]quinazolin-5(7H)-one,8,13-dihydro-

The systematic name of Rutaecarpine is 8,13-dihydroindolo[2',3':3,4]pyrido[2,1-b]quinazolin-5(7H)-one. With the CAS registry number 84-26-4, it is also named as Indolo(2',3':3,4)pyrido(2,1-b)quinazolin-5(7H)-one, 8,13-dihydro- (9CI). The product's category is Indoles and Derivatives. Besides, it is white solid, which should be stored at 2-8 °C. In addition, its molecular formula is C₁₈H₁₃N₃O and molecular weight is 287.32.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.942; (4)ACD/LogD (pH 7.4): 2.943; (5)ACD/BCF (pH 5.5): 101.282; (6)ACD/BCF (pH 7.4): 101.573; (7)ACD/KOC (pH 5.5): 948.005; (8)ACD/KOC (pH 7.4): 950.731; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.792; (13)Molar Refractivity: 83.67 cm³; (14)Molar Volume: 197.275 cm³; (15)Surface Tension: 62.493 dyne/cm; (16)Density: 1.456 g/cm³; (17)Flash Point: 286.473 °C; (18)Melting Point: 260 °C; (19)Solubility: DMSO: 18 mg/mL; (20)Enthalpy of Vaporization: 83.006 kJ/mol; (21)Boiling Point: 550.072 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

Preparation of Rutaecarpine: this chemical can be prepared by 3-(2-Indol-3-yl-ethyl)-1H-quinazoline-2,4-dione.



This reaction needs POCl₃ and CH₂Cl₂ at temperature of 60 °C. The reaction time is 3 hours. The yield is 40 %.

Uses of Rutaecarpine: it can be used to produce 2-(3-Vinyl-1H-indol-2-yl)-3H-quinazolin-4-one.



This reaction needs NaH and Dimethylformamide at temperature of 100-105 °C for 22 hours. The yield is 68 %.

When you are using this chemical, please be cautious about it as the following: it is toxic if swallowed. In case of accident or if you feel unwell, please seek medical advice immediately (show label where possible).

People can use the following data to convert to the molecule structure.
(1)SMILES: c1ccc2c(c1)c3c([nH]2)-c4nc5ccccc5c(=O)n4CC3
(2)InChI: InChI=1/C18H13N3O/c22-18-13-6-2-4-8-15(13)20-17-16-12(9-10-21(17)18)11-5-1-3-7-14(11)19-16/h1-8,19H,9-10H2
(3)InChIKey: ACVGWSKVRYFWRP-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C18H13N3O/c22-18-13-6-2-4-8-15(13)20-17-16-12(9-10-21(17)18)11-5-1-3-7-14(11)19-16/h1-8,19H,9-10H2
(5)Std. InChIKey: ACVGWSKVRYFWRP-UHFFFAOYSA-N