7-Methoxy-6-benzyloxyquinazolin-4-one supplier

Name
7-Methoxy-6-benzyloxyquinazolin-4-one
EINECS
CAS No. 286371-64-0
Article Data11
CAS DataBase
Density 1.263 g/cm³
Solubility
Melting Point 252 °C(Solv: methanol (67-56-1))
Formula C₁₆H₁₄N₂O₃
Boiling Point 475.366 °C at 760 mmHg
Molecular Weight 282.299
Flash Point 241.293 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4(1H)-Quinazolinone,7-methoxy-6-(phenylmethoxy)- (9CI);6-(Benzyloxy)-7-methoxyquinazolin-4(3H)-one;7-Methoxy-6-benzyloxyquinazolin-4-one;
PSA 64.47000
LogP 2.92300

7-Methoxy-6-benzyloxyquinazolin-4-one Specification

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

Product Name

7-Methoxy-6-benzyloxyquinazolin-4-one

7-Methoxy-6-benzyloxyquinazolin-4-one Specification

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