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101021-62-9 | Quinoline, 8,8'-[3-oxetanylidenebis(methyleneoxy)]bis[2-methyl- (9CI)
CAS No: 101021-62-9 Catalog No: AG0003KQ MDL No:
Product Description
Catalog Number:
AG0003KQ
Chemical Name:
Quinoline, 8,8'-[3-oxetanylidenebis(methyleneoxy)]bis[2-methyl- (9CI)
CAS Number:
101021-62-9
Molecular Formula:
C25H24N2O3
Molecular Weight:
400.4697
IUPAC Name:
2-methyl-8-[[3-[(2-methylquinolin-8-yl)oxymethyl]oxetan-3-yl]methoxy]quinoline
InChI:
InChI=1S/C25H24N2O3/c1-17-9-11-19-5-3-7-21(23(19)26-17)29-15-25(13-28-14-25)16-30-22-8-4-6-20-12-10-18(2)27-24(20)22/h3-12H,13-16H2,1-2H3
InChI Key:
GWCCVPBNCZAVCF-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(n1)c(ccc2)OCC1(COC1)COc1cccc2c1nc(C)cc2
Properties
Complexity:
525
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
400.179g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
400.478g/mol
Monoisotopic Mass:
400.179g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
53.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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