4-(4-Bromo-2-fluoroanilino)-7-hydroxy-6-methoxyquinazoline

C₁₅H₁₁BrFN₃O₂CAS 196603-96-0364.17 g/mol

Open in Covalent MOL file

Aryl halide Ether Phenol Secondary amine

Properties

Molecular formula: C₁₅H₁₁BrFN₃O₂
Molar mass: 364.17 g/mol
Exact mass: 363.0019 Da
logP: 3.99Crippen estimate
Polar surface area: 67.3 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

196603-96-0

SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=C(C=C(C=C3)Br)F)O

InChIKey

XIHOMGRMQWNHHB-UHFFFAOYSA-N

InChI

InChI=1S/C15H11BrFN3O2/c1-22-14-5-9-12(6-13(14)21)18-7-19-15(9)20-11-3-2-8(16)4-10(11)17/h2-7,21H,1H3,(H,18,19,20)

Weigh it out

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Names and synonyms

1 names

4-[(4-Bromo-2-fluorophenyl)amino]-6-methoxy-7-quinazolinol

Work with 4-(4-Bromo-2-fluoroanilino)-7-hydroxy-6-methoxyquinazoline

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

Vandetanib443913-73-361 % similar Zm 306416690206-97-460 % similar 4-(3-Chloro-4-fluorophenylamino)-7-methoxyquinazolin-6-ol184475-71-656 % similar 4-(3-Bromophenylamino)-6,7-dimethoxyquinazoline153436-54-553 % similar 6-Hydroxy-7-methoxy-4(3H)-quinazolinone179688-52-943 % similar 4-Bromo-2-fluoroanisole2357-52-042 % similar 5-Bromo-2-methoxyphenol37942-01-142 % similar 4-Bromo-2-methoxyphenol7368-78-742 % similar

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

Elsewhere

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