871814-30-1
4-[8-ETHOXY-7-HYDROXY-2-(1-METHYLETHYL)-4-OXO-3(4H)-QUINAZOLINYL]-BENZONITRILE
Name4-[8-ETHOXY-7-HYDROXY-2-(1-METHYLETHYL)-4-OXO-3(4H)-QUINAZOLINYL]-BENZONITRILE
1Identification
【Name】
4-[8-ETHOXY-7-HYDROXY-2-(1-METHYLETHYL)-4-OXO-3(4H)-QUINAZOLINYL]-BENZONITRILE
【CAS】
【MDL】
MFCD16878673
【English Synonyms】
【Formula】
C20 H19 N3 O3
【MolWeight】
349.388
【Inchi】
InChI=1S/C20H19N3O3/c1-4-26-18-16(24)10-9-15-17(18)22-19(12(2)3)23(20(15)25)14-7-5-13(11-21)6-8-14/h5-10,12,24H,4H2,1-3H3
【InChIKey】
InChIKey=AXRSAQXAFXMRCC-UHFFFAOYSA-N
【SMILES】
CCOc1c(ccc2c1nc(n(c2=O)c3ccc(cc3)C#N)C(C)C)O
【MOL File】
4-[8-ETHOXY-7-HYDROX….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-[8-ETHOXY-7-HYDROXY-2-(1-METHYLETHYL)-4-OXO-3(4H)-QUINAZOLINYL]-BENZONITRILE.cml