1.0 2010-04-08 22:09:28 UTC 2015-07-20 22:38:10 UTC FDB011122 Glycosminine Specific inhibitor of serine protease and human leucocyte elastase 2-(Phenylmethyl)-4-quinoxalinol 2-(Phenylmethyl)-4(3H)-quinazolinone, 9CI 2-benzyl-1H-quinazolin-4-one 2-Benzyl-3H-quinazolin-4-one 2-Benzyl-4-hydroxyquinazoline 2-benzylquinazolin-4(3H)-one 2-Phenylmethyl-4(1H)-quinazolinone Glycophymine Glycosminine N-Demethylarborine C15H12N2O 236.2686 236.094963016 2-benzyl-3,4-dihydroquinazolin-4-one 2-benzyl-3H-quinazolin-4-one 4765-56-4 O=C1NC(CC2=CC=CC=C2)=NC2=CC=CC=C12 InChI=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. Quinazolines Organic compounds Organoheterocyclic compounds Diazanaphthalenes Benzodiazines Aromatic heteropolycyclic compounds Azacyclic compounds Benzene and substituted derivatives Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds Pyrimidones Vinylogous amides Aromatic heteropolycyclic compound Azacycle Benzenoid Heteroaromatic compound Hydrocarbon derivative Monocyclic benzene moiety Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Pyrimidine Pyrimidone Quinazoline Vinylogous amide Quinazoline alkaloids quinazolines logp 2.50 ALOGPS logs -3.65 ALOGPS solubility 5.32e-02 g/l ALOGPS melting_point Mp 254-256° (248-249°) logp 2.61 ChemAxon pka_strongest_acidic 9.84 ChemAxon pka_strongest_basic 2.77 ChemAxon iupac 2-benzyl-3,4-dihydroquinazolin-4-one ChemAxon average_mass 236.2686 ChemAxon mono_mass 236.094963016 ChemAxon smiles O=C1NC(CC2=CC=CC=C2)=NC2=CC=CC=C12 ChemAxon formula C15H12N2O ChemAxon inchi InChI=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) ChemAxon inchikey ZDUVLDCZFKNYHH-UHFFFAOYSA-N ChemAxon polar_surface_area 41.46 ChemAxon refractivity 72.11 ChemAxon polarizability 25.08 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 17178 Specdb::CMs 150404 Specdb::MsMs 11303 Specdb::MsMs 11304 Specdb::MsMs 11305 Specdb::MsMs 17975 Specdb::MsMs 17976 Specdb::MsMs 17977 Specdb::MsMs 2354616 Specdb::MsMs 2354617 Specdb::MsMs 2354618 Specdb::MsMs 2607561 Specdb::MsMs 2607562 Specdb::MsMs 2607563 HMDB33122 #<Reference:0x000055ce332c4410>