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CAS No.: | 286371-64-0 |
---|---|
Name: | 7-Methoxy-6-benzyloxyquinazolin-4-one |
Article Data: | 11 |
Molecular Structure: | |
Formula: | C16H14N2O3 |
Molecular Weight: | 282.299 |
Synonyms: | 4(1H)-Quinazolinone,7-methoxy-6-(phenylmethoxy)- (9CI);6-(Benzyloxy)-7-methoxyquinazolin-4(3H)-one;7-Methoxy-6-benzyloxyquinazolin-4-one; |
Density: | 1.263 g/cm3 |
Melting Point: | 252 °C(Solv: methanol (67-56-1)) |
Boiling Point: | 475.366 °C at 760 mmHg |
Flash Point: | 241.293 °C |
PSA: | 64.47000 |
LogP: | 2.92300 |
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The systematic name of 7-Methoxy-6-benzyloxyquinazolin-4-one is 6-(benzyloxy)-7-methoxyquinazolin-4(1H)-one. With the CAS registry number 286371-64-0, it is also named as 7-Methoxy-6-(phenylmethoxy)-4(1H)-quinazolinone. In addition, its molecular formula is C16H14N2O3 and molecular weight is 282.29.
The other characteristics of 7-Methoxy-6-benzyloxyquinazolin-4-one can be summarized as: (1)ACD/LogP: 2.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 47; (6)ACD/BCF (pH 7.4): 47; (7)ACD/KOC (pH 5.5): 550; (8)ACD/KOC (pH 7.4): 550; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 59.92 Å2; (13)Index of Refraction: 1.617; (14)Molar Refractivity: 78.189 cm3; (15)Molar Volume: 223.473 cm3; (16)Polarizability: 30.997×10-24cm3; (17)Surface Tension: 46.553 dyne/cm; (18)Density: 1.263 g/cm3; (19)Flash Point: 241.293 °C; (20)Enthalpy of Vaporization: 73.887 kJ/mol; (21)Boiling Point: 475.366 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: O=C3\N=C/Nc2cc(OC)c(OCc1ccccc1)cc23
(2)InChI: InChI=1/C16H14N2O3/c1-20-14-8-13-12(16(19)18-10-17-13)7-15(14)21-9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3,(H,17,18,19)
(3)InChIKey: UEDIEWQHFJNDTF-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C16H14N2O3/c1-20-14-8-13-12(16(19)18-10-17-13)7-15(14)21-9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3,(H,17,18,19)
(5)Std. InChIKey: UEDIEWQHFJNDTF-UHFFFAOYSA-N