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Home > Indoles and Oxindole > 88940-98-1
88940-98-1 | 1H-Isoindole-1,3(2H)-dione, 2-[6-(3-quinolinyl)hexyl]-
CAS No: 88940-98-1 Catalog No: AG0047ZF MDL No:
Product Description
Catalog Number:
AG0047ZF
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[6-(3-quinolinyl)hexyl]-
CAS Number:
88940-98-1
Molecular Formula:
C23H22N2O2
Molecular Weight:
358.4330
IUPAC Name:
2-(6-quinolin-3-ylhexyl)isoindole-1,3-dione
InChI:
InChI=1S/C23H22N2O2/c26-22-19-11-5-6-12-20(19)23(27)25(22)14-8-2-1-3-9-17-15-18-10-4-7-13-21(18)24-16-17/h4-7,10-13,15-16H,1-3,8-9,14H2
InChI Key:
WBOMACGGUHJRRT-UHFFFAOYSA-N
SMILES:
O=C1N(CCCCCCc2cnc3c(c2)cccc3)C(=O)c2c1cccc2
Properties
Complexity:
511
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.168g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
358.441g/mol
Monoisotopic Mass:
358.168g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
50.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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