1.02010-04-08 22:09:28 UTC2015-07-20 22:38:10 UTCFDB011122GlycosminineSpecific inhibitor of serine protease and human leucocyte elastase2-(Phenylmethyl)-4-quinoxalinol2-(Phenylmethyl)-4(3H)-quinazolinone, 9CI2-benzyl-1H-quinazolin-4-one2-Benzyl-3H-quinazolin-4-one2-Benzyl-4-hydroxyquinazoline2-benzylquinazolin-4(3H)-one2-Phenylmethyl-4(1H)-quinazolinoneGlycophymineGlycosminineN-DemethylarborineC15H12N2O236.2686236.0949630162-benzyl-3,4-dihydroquinazolin-4-one2-benzyl-3H-quinazolin-4-one4765-56-4O=C1NC(CC2=CC=CC=C2)=NC2=CC=CC=C12InChI=1S/C15H12N2O/c18-15-12-8-4-5-9-13(12)16-14(17-15)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,16,17,18)ZDUVLDCZFKNYHH-UHFFFAOYSA-N belongs to the class of organic compounds known as quinazolines. Quinazolines are compounds containing a quinazoline moiety, which is made up of two fused six-member aromatic rings, a benzene ring and a pyrimidine ring.QuinazolinesOrganic compoundsOrganoheterocyclic compoundsDiazanaphthalenesBenzodiazinesAromatic heteropolycyclic compoundsAzacyclic compoundsBenzene and substituted derivativesHeteroaromatic compoundsHydrocarbon derivativesOrganic oxidesOrganonitrogen compoundsOrganooxygen compoundsOrganopnictogen compoundsPyrimidonesVinylogous amidesAromatic heteropolycyclic compoundAzacycleBenzenoidHeteroaromatic compoundHydrocarbon derivativeMonocyclic benzene moietyOrganic nitrogen compoundOrganic oxideOrganic oxygen compoundOrganonitrogen compoundOrganooxygen compoundOrganopnictogen compoundPyrimidinePyrimidoneQuinazolineVinylogous amideQuinazoline alkaloidsquinazolineslogp2.50logs-3.65solubility5.32e-02 g/lmelting_pointMp 254-256° (248-249°)logp2.61pka_strongest_acidic9.84pka_strongest_basic2.77iupac2-benzyl-3,4-dihydroquinazolin-4-oneaverage_mass236.2686mono_mass236.094963016smilesO=C1NC(CC2=CC=CC=C2)=NC2=CC=CC=C12formulaC15H12N2OinchiInChI=1S/C15H12N2O/c18-15-12-8-4-5-9-13(12)16-14(17-15)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,16,17,18)inchikeyZDUVLDCZFKNYHH-UHFFFAOYSA-Npolar_surface_area41.46refractivity72.11polarizability25.08rotatable_bond_count2acceptor_count2donor_count1physiological_charge0formal_charge0Specdb::CMs17178Specdb::CMs150404Specdb::MsMs11303Specdb::MsMs11304Specdb::MsMs11305Specdb::MsMs17975Specdb::MsMs17976Specdb::MsMs17977Specdb::MsMs2354616Specdb::MsMs2354617Specdb::MsMs2354618Specdb::MsMs2607561Specdb::MsMs2607562Specdb::MsMs2607563HMDB33122#<Reference:0x00005556755e7830>