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112935-98-5 | 3-Quinolinecarboxamide, 1-ethyl-1,4-dihydro-4-oxo-N-propyl-
CAS No: 112935-98-5 Catalog No: AG0081NZ MDL No:
Product Description
Catalog Number:
AG0081NZ
Chemical Name:
3-Quinolinecarboxamide, 1-ethyl-1,4-dihydro-4-oxo-N-propyl-
CAS Number:
112935-98-5
Molecular Formula:
C15H18N2O2
Molecular Weight:
258.3156
IUPAC Name:
1-ethyl-4-oxo-N-propylquinoline-3-carboxamide
InChI:
InChI=1S/C15H18N2O2/c1-3-9-16-15(19)12-10-17(4-2)13-8-6-5-7-11(13)14(12)18/h5-8,10H,3-4,9H2,1-2H3,(H,16,19)
InChI Key:
GENIODYTORCKQV-UHFFFAOYSA-N
SMILES:
CCCNC(=O)c1cn(CC)c2c(c1=O)cccc2
Properties
Complexity:
390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.137g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
258.321g/mol
Monoisotopic Mass:
258.137g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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