chempirical

4-Chloro-2-phenylquinazoline

C14H9ClN2CAS 6484-25-9240.69 g/mol

Open in Covalent MOL file
ClNN
Aryl halide

Properties

Molecular formula
C14H9ClN2
Molar mass
240.69 g/mol
Exact mass
240.0454 Da
Melting point
124–124.5 °C
logP
3.95Crippen estimate
Polar surface area
25.8 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
6484-25-9
SMILES
Clc1nc(-c2ccccc2)nc2ccccc12
InChIKey
OBHKONRNYCDRKM-UHFFFAOYSA-N
InChI
InChI=1S/C14H9ClN2/c15-13-11-8-4-5-9-12(11)16-14(17-13)10-6-2-1-3-7-10/h1-9H

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Names and synonyms

3 names
  • Quinazoline, 4-chloro-2-phenyl-
  • 2-Phenyl-4-chloroquinazoline
  • NSC 400965

Work with 4-Chloro-2-phenylquinazoline

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

2,4-Dichloroquinazoline607-68-160 % similar 2,4-Dichloro-6-phenyl-1,3,5-triazine1700-02-350 % similar 2-Chloro-4,6-diphenyl-1,3,5-triazine3842-55-550 % similar 9-Phenylacridine602-56-248 % similar 2,4,6-Triphenyl-1,3,5-triazine493-77-648 % similar 2-(4-Biphenylyl)-4,6-dichloro-1,3,5-triazine10202-45-647 % similar Fenclorim3740-92-947 % similar 9-Chloroacridine1207-69-845 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook