Quinazolinone

C8H6N2OCAS 491-36-1146.15 g/mol

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OHNN
Phenol

Properties

Molecular formula
C8H6N2O
Molar mass
146.15 g/mol
Exact mass
146.0480 Da
Melting point
217.5 °C
logP
1.34Crippen estimate
Polar surface area
46.0 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

Hazards

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

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Identifiers

CAS number
491-36-1
SMILES
Oc1ncnc2ccccc12
InChIKey
QMNUDYFKZYBWQX-UHFFFAOYSA-N
InChI
InChI=1S/C8H6N2O/c11-8-6-3-1-2-4-7(6)9-5-10-8/h1-5H,(H,9,10,11)

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Names and synonyms

13 names · show all
  • 4(3H)-Quinazolinone
  • 4(1H)-Quinazolinone
  • 4-Quinazolone
  • 4-Quinazolinone
  • 4-Quinazolinol
  • 4-Hydroxyquinazoline
  • 4-Oxoquinazoline
  • 4(3H)-Quinazolone
  • 4-Oxo-3,4-dihydroquinazoline
  • 3,4-Dihydroquinazolin-4-one
  • NSC 5863
  • C 201-0583
  • 1H-Quinazolin-4-one

Work with 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

6-Iodo-4(3H)-quinazolinone16064-08-753 % similar 7-Fluoroquinazolin-4(3H)-one16499-57-353 % similar 4-Chloro-quinazoline5190-68-152 % similar 1,2,3-Benzotriazin-4-one90-16-452 % similar Quinazolinedione86-96-450 % similar 6(5H)-Phenanthridinone1015-89-048 % similar 1(2H)-Isoquinolinone491-30-548 % similar 2-Mercapto-4(3H)-quinazolinone13906-09-747 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Imidazo[1,2-A]pyridine-6-carbaldehyde116355-16-9 Imidazo(1,2-a)pyridine-2-carbaldehyde118000-43-4 1(2H)-Phthalazinone119-39-1 2(1H)-Quinoxalinone1196-57-2 2-Cyanobenzamide17174-98-0 1H-Indazole-5-carboxaldehyde253801-04-6 1H-Pyrrolo(2,3-c)pyridine-3-carbaldehyde25957-65-7 1H-Pyrrolo[3,2-B]pyridine-3-carboxaldehyde (9ci)276862-85-2

Elsewhere

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