876303-89-8
11H-PYRIDO[2,1-B]QUINAZOLIN-11-ONE, 6,7,8,9-TETRAHYDRO-6-[(4-HYDROXY-3,5-DIMETHOXYPHENYL)METHYLENE]-2,3,4-TRIMETHOXY-, (6E)-
Name11H-PYRIDO[2,1-B]QUINAZOLIN-11-ONE, 6,7,8,9-TETRAHYDRO-6-[(4-HYDROXY-3,5-DIMETHOXYPHENYL)METHYLENE]-2,3,4-TRIMETHOXY-, (6E)-
1Identification
【Name】
11H-PYRIDO[2,1-B]QUINAZOLIN-11-ONE, 6,7,8,9-TETRAHYDRO-6-[(4-HYDROXY-3,5-DIMETHOXYPHENYL)METHYLENE]-2,3,4-TRIMETHOXY-, (6E)-
【CAS】
【MDL】
MFCD17018453
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C24 H26 N2 O7
【pro_molWeight】
454.476
【Inchi】
InChI=1S/C24H26N2O7/c1-29-16-10-13(11-17(30-2)20(16)27)9-14-7-6-8-26-23(14)25-19-15(24(26)28)12-18(31-3)21(32-4)22(19)33-5/h9-12,27H,6-8H2,1-5H3/b14-9+
【InChIKey】
InChIKey=ODRXNILAYHBEEP-NTEUORMPSA-N
【SMILES】
COc1cc(cc(c1O)OC)/C=C/2\CCCn3c2nc4c(c3=O)cc(c(c4OC)OC)OC
【MOL File】
11H-PYRIDO[2,1-B]QUI….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:9
XLogP3:2.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
11H-PYRIDO[2,1-B]QUINAZOLIN-11-ONE, 6,7,8,9-TETRAHYDRO-6-[(4-HYDROXY-3,5-DIMETHOXYPHENYL)METHYLENE]-2,3,4-TRIMETHOXY-, (6E)-.cml