7-Benzyloxy-6-methoxy-3H-quinazolin-4-one

C₁₆H₁₄N₂O₃CAS 179688-01-8282.30 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₆H₁₄N₂O₃
Molar mass: 282.30 g/mol
Exact mass: 282.1004 Da
logP: 2.51Crippen estimate
Polar surface area: 64.2 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 4

Identifiers

CAS number

179688-01-8

SMILES

COC1=C(C=C2C(=C1)C(=O)NC=N2)OCC3=CC=CC=C3

InChIKey

ZCUFFSHMOAEEIL-UHFFFAOYSA-N

InChI

InChI=1S/C16H14N2O3/c1-20-14-7-12-13(17-10-18-16(12)19)8-15(14)21-9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3,(H,17,18,19)

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Names and synonyms

1 names

6-Methoxy-7-benzyloxyquinazolin-4-one

Work with 7-Benzyloxy-6-methoxy-3H-quinazolin-4-one

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

6,7-Dimethoxy-3H-quinazolin-4-one13794-72-470 % similar 7-(Benzyloxy)-4-chloro-6-methoxyquinazoline162364-72-958 % similar 7-Benzyloxy-4-chloro-6-methoxy-quinoline286371-49-158 % similar 6-Acetoxy-7-methoxy-3H-quinazolin-4-one179688-53-057 % similar 7-(Benzyloxy)-6-methoxyquinolin-4-ol205448-29-956 % similar 2-Benzyloxy-4,5-dimethoxybenzaldehyde14382-86-645 % similar 4-(Benzyloxy)-3-methoxybenzaldehyde2426-87-144 % similar 3-(Benzyloxy)-4-methoxybenzaldehyde6346-05-044 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Bendazac20187-55-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook