4-QuinazolineAcetic Acid 8-Fluoro-1,2,3,4-Tetrahydro-3-[2-Methoxy-5-(TrifluoroMethyl)Phenyl]-2-Oxo-Methyl ester

C₁₉H₁₆F₄N₂O₄CAS 917389-21-0412.34 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Ester Ether Urea

Properties

Molecular formula: C₁₉H₁₆F₄N₂O₄
Molar mass: 412.34 g/mol
Exact mass: 412.1046 Da
logP: 4.51Crippen estimate
Polar surface area: 67.9 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 4

Hazards

H411 Toxic to aquatic life with long lasting effects100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P273, P391, P501

Identifiers

CAS number

917389-21-0

SMILES

COC1=C(C=C(C=C1)C(F)(F)F)N2C(C3=C(C(=CC=C3)F)NC2=O)CC(=O)OC

InChIKey

ZOBYBACEALCILX-UHFFFAOYSA-N

InChI

InChI=1S/C19H16F4N2O4/c1-28-15-7-6-10(19(21,22)23)8-14(15)25-13(9-16(26)29-2)11-4-3-5-12(20)17(11)24-18(25)27/h3-8,13H,9H2,1-2H3,(H,24,27)

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Names and synonyms

1 names

4-Quinazolineacetic acid, 8-fluoro-1,2,3,4-tetrahydro-3-[2-methoxy-5-(trifluoromethyl)phenyl]-2-oxo-, methyl ester

Work with 4-QuinazolineAcetic Acid 8-Fluoro-1,2,3,4-Tetrahydro-3-[2-Methoxy-5-(TrifluoroMethyl)Phenyl]-2-Oxo-Methyl ester

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

Letermovir917389-32-347 % similar Methyl 3-oxo-3-[3-(trifluoromethyl)phenyl]propanoate93618-66-736 % similar 2-Fluoro-5-(trifluoromethyl)anisole261951-78-435 % similar 2-Methoxy-5-(trifluoromethyl)benzaldehyde146539-83-533 % similar 2-Nitro-4-trifluoromethylanisole394-25-232 % similar Anacetrapib875446-37-032 % similar 2-Methoxy-4-(trifluoromethyl)benzaldehyde132927-09-431 % similar Methyl 3-(trifluoromethyl)benzoate2557-13-331 % similar

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

Elsewhere

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