Quinazoline

C8H6N2CAS 253-82-7130.15 g/mol

Open in Covalent MOL file
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Properties

Molecular formula
C8H6N2
Molar mass
130.15 g/mol
Exact mass
130.0531 Da
Melting point
48 °C
Boiling point
241 °C
logP
1.63Crippen estimate
Polar surface area
25.8 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
253-82-7
SMILES
c1ccc2ncncc2c1
InChIKey
JWVCLYRUEFBMGU-UHFFFAOYSA-N
InChI
InChI=1S/C8H6N2/c1-2-4-8-7(3-1)5-9-6-10-8/h1-6H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • 1,3-Benzodiazine
  • 5,6-Benzopyrimidine
  • 1,3-Diazanaphthalene
  • Phenmiazine
  • NSC 72372

Work with Quinazoline

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

6-Bromo-quinazoline89892-21-750 % similar 7-Bromoquinazoline89892-22-850 % similar Quinoline91-22-548 % similar 5-Bromo-quinazoline958452-00-147 % similar 2-Chloroquinazoline6141-13-545 % similar 3-Bromoquinoline5332-24-143 % similar 3-Aminoquinoline580-17-643 % similar 3-Hydroxyquinoline580-18-743 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Phthalazine253-52-1 1,6-Naphthyridine253-72-5 1,8-Naphthyridine254-60-4 1,5-Naphthyridine254-79-5 Quinoxaline91-19-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia