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85675-33-8 | 1(2H)-Quinolinecarboxamide, 3,4-dihydro-N-octyl-
CAS No: 85675-33-8 Catalog No: AG004Q5X MDL No:
Product Description
Catalog Number:
AG004Q5X
Chemical Name:
1(2H)-Quinolinecarboxamide, 3,4-dihydro-N-octyl-
CAS Number:
85675-33-8
Molecular Formula:
C18H28N2O
Molecular Weight:
288.4277
IUPAC Name:
N-octyl-3,4-dihydro-2H-quinoline-1-carboxamide
InChI:
InChI=1S/C18H28N2O/c1-2-3-4-5-6-9-14-19-18(21)20-15-10-12-16-11-7-8-13-17(16)20/h7-8,11,13H,2-6,9-10,12,14-15H2,1H3,(H,19,21)
InChI Key:
SHUVMIXNHGLAQL-UHFFFAOYSA-N
SMILES:
CCCCCCCCNC(=O)N1CCCc2c1cccc2
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.22g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
288.435g/mol
Monoisotopic Mass:
288.22g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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