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88557-19-1 | 3-Quinolinecarboxamide, 1,4,4a,5,6,7-hexahydro-1,5-dimethyl-4-oxo-
CAS No: 88557-19-1 Catalog No: AG004E3I MDL No:
Product Description
Catalog Number:
AG004E3I
Chemical Name:
3-Quinolinecarboxamide, 1,4,4a,5,6,7-hexahydro-1,5-dimethyl-4-oxo-
CAS Number:
88557-19-1
Molecular Formula:
C12H16N2O2
Molecular Weight:
220.2676
IUPAC Name:
1,5-dimethyl-4-oxo-4a,5,6,7-tetrahydroquinoline-3-carboxamide
InChI:
InChI=1S/C12H16N2O2/c1-7-4-3-5-9-10(7)11(15)8(12(13)16)6-14(9)2/h5-7,10H,3-4H2,1-2H3,(H2,13,16)
InChI Key:
LQPBZVIHYDZAJE-UHFFFAOYSA-N
SMILES:
CC1CCC=C2C1C(=O)C(=CN2C)C(=O)N
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.121g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.272g/mol
Monoisotopic Mass:
220.121g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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