870996-94-4
2-[2-[(1-CYCLOBUTYL-4-PIPERIDINYL)OXY]-5-PYRIMIDINYL]-8-METHOXY-3-METHYL-4(3H)-QUINAZOLINONE
Name2-[2-[(1-CYCLOBUTYL-4-PIPERIDINYL)OXY]-5-PYRIMIDINYL]-8-METHOXY-3-METHYL-4(3H)-QUINAZOLINONE
1Identification
【Name】
2-[2-[(1-CYCLOBUTYL-4-PIPERIDINYL)OXY]-5-PYRIMIDINYL]-8-METHOXY-3-METHYL-4(3H)-QUINAZOLINONE
【CAS】
【MDL】
MFCD16878661
【English Synonyms】
【Formula】
C23 H27 N5 O3
【MolWeight】
421.498
【Inchi】
InChI=1S/C23H27N5O3/c1-27-21(26-20-18(22(27)29)7-4-8-19(20)30-2)15-13-24-23(25-14-15)31-17-9-11-28(12-10-17)16-5-3-6-16/h4,7-8,13-14,16-17H,3,5-6,9-12H2,1-2H3
【InChIKey】
InChIKey=YLNSERFUFNOVJX-UHFFFAOYSA-N
【SMILES】
Cn1c(=O)c2cccc(c2nc1c3cnc(nc3)OC4CCN(CC4)C5CCC5)OC
【MOL File】
2-[2-[(1-CYCLOBUTYL-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:8
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-[2-[(1-CYCLOBUTYL-4-PIPERIDINYL)OXY]-5-PYRIMIDINYL]-8-METHOXY-3-METHYL-4(3H)-QUINAZOLINONE.cml