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574745-75-8

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Basic Information
CAS No.: 574745-75-8
Name: 7-(BENZYLOXY)-4-(4-FLUORO-2-METHYL-1H-INDOL-5-YLOXY)-6-METHOXYQUINAZOLINE
Article Data: 5
Molecular Structure:
Molecular Structure of 574745-75-8 (7-(BENZYLOXY)-4-(4-FLUORO-2-METHYL-1H-INDOL-5-YLOXY)-6-METHOXYQUINAZOLINE)
Formula: C25H20FN3O3
Molecular Weight: 429.451
Synonyms: QC-1067;
Density: 1.333 g/cm3
Boiling Point: 610.055 °C at 760 mmHg
Flash Point: 322.75 °C
PSA: 69.26000
LogP: 5.93850
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Specification

The 7-(Benzyloxy)-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazoline, with the CAS registry number 574745-75-8, is also known as Quinazoline, 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-(phenylmethoxy)-. This chemical's molecular formula is C25H20FN3O3 and molecular weight is 429.44. What's more, its systematic name is 7-(Benzyloxy)-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazoline.

Physical properties of 7-(Benzyloxy)-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazoline are: (1)ACD/LogP: 4.754; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.75; (4)ACD/LogD (pH 7.4): 4.75; (5)ACD/BCF (pH 5.5): 2416.08; (6)ACD/BCF (pH 7.4): 2416.86; (7)ACD/KOC (pH 5.5): 9187.29; (8)ACD/KOC (pH 7.4): 9190.23; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 69.26 Å2; (13)Index of Refraction: 1.679; (14)Molar Refractivity: 121.66 cm3; (15)Molar Volume: 322.213 cm3; (16)Polarizability: 48.23×10-24cm3; (17)Surface Tension: 56.7 dyne/cm; (18)Density: 1.333 g/cm3; (19)Flash Point: 322.75 °C; (20)Enthalpy of Vaporization: 87.28 kJ/mol; (21)Boiling Point: 610.055 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc4c(Oc3ncnc2c3cc(OC)c(OCc1ccccc1)c2)ccc5c4cc(n5)C
(2)Std. InChI: InChI=1S/C25H20FN3O3/c1-15-10-17-19(29-15)8-9-21(24(17)26)32-25-18-11-22(30-2)23(12-20(18)27-14-28-25)31-13-16-6-4-3-5-7-16/h3-12,14,29H,13H2,1-2H3
(3)Std. InChIKey: FAUIFGUQBUATLA-UHFFFAOYSA-N