7-Bromo-6-chloro-4-quinazolinone

C₈H₄BrClN₂OCAS 17518-98-8259.49 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₄BrClN₂O
Molar mass: 259.49 g/mol
Exact mass: 257.9196 Da
logP: 2.34Crippen estimate
Polar surface area: 45.8 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Identifiers

CAS number

17518-98-8

SMILES

C1=C2C(=CC(=C1Cl)Br)N=CNC2=O

InChIKey

RFCXXKWROOFQSI-UHFFFAOYSA-N

InChI

InChI=1S/C8H4BrClN2O/c9-5-2-7-4(1-6(5)10)8(13)12-3-11-7/h1-3H,(H,11,12,13)

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Names and synonyms

1 names

4(3H)-Quinazolinone, 7-bromo-6-chloro-

Work with 7-Bromo-6-chloro-4-quinazolinone

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

7-Bromo-1H-quinazolin-4-one194851-16-656 % similar 6-Bromoquinazolin-4-ol32084-59-653 % similar 6,7-Dimethoxy-3H-quinazolin-4-one13794-72-448 % similar 7-Fluoro-6-nitroquinazolin-4(1H)-one162012-69-341 % similar 7-Benzyloxy-6-methoxy-3H-quinazolin-4-one179688-01-839 % similar 7-Bromothieno(3,2-d)pyrimidin-4-ol31169-25-239 % similar 6-Acetoxy-7-methoxy-3H-quinazolin-4-one179688-53-038 % similar 5-Bromo-4,6-dihydroxypyrimidine15726-38-236 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook