871814-49-2
4-[7-HYDROXY-8-METHOXY-2-(1-METHYLETHYL)-4-OXO-3(4H)-QUINAZOLINYL]-BENZONITRILE
Name4-[7-HYDROXY-8-METHOXY-2-(1-METHYLETHYL)-4-OXO-3(4H)-QUINAZOLINYL]-BENZONITRILE
1Identification
【Name】
4-[7-HYDROXY-8-METHOXY-2-(1-METHYLETHYL)-4-OXO-3(4H)-QUINAZOLINYL]-BENZONITRILE
【CAS】
【MDL】
MFCD16878676
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C19 H17 N3 O3
【pro_molWeight】
335.361
【Inchi】
InChI=1S/C19H17N3O3/c1-11(2)18-21-16-14(8-9-15(23)17(16)25-3)19(24)22(18)13-6-4-12(10-20)5-7-13/h4-9,11,23H,1-3H3
【InChIKey】
InChIKey=NRLBHPLWMGCODT-UHFFFAOYSA-N
【SMILES】
CC(C)c1nc2c(ccc(c2OC)O)c(=O)n1c3ccc(cc3)C#N
【MOL File】
4-[7-HYDROXY-8-METHO….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:6
XLogP3:3.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
4-[7-HYDROXY-8-METHOXY-2-(1-METHYLETHYL)-4-OXO-3(4H)-QUINAZOLINYL]-BENZONITRILE.cml