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113855-61-1 | 2(1H)-Quinolinone, 7-[3-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)propoxy]-
CAS No: 113855-61-1 Catalog No: AG0009XC MDL No:
Product Description
Catalog Number:
AG0009XC
Chemical Name:
2(1H)-Quinolinone, 7-[3-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)propoxy]-
CAS Number:
113855-61-1
Molecular Formula:
C20H23N3O3
Molecular Weight:
353.4149
IUPAC Name:
7-[3-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)propoxy]-1H-quinolin-2-one
InChI:
InChI=1S/C20H23N3O3/c24-18-11-9-14-8-10-16(13-17(14)21-18)25-12-4-7-19-22-23-20(26-19)15-5-2-1-3-6-15/h8-11,13,15H,1-7,12H2,(H,21,24)
InChI Key:
DBCGSSXXHFDTJU-UHFFFAOYSA-N
SMILES:
O=c1ccc2c([nH]1)cc(cc2)OCCCc1nnc(o1)C1CCCCC1
Properties
Complexity:
507
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
353.174g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
353.422g/mol
Monoisotopic Mass:
353.174g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
77.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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