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148581-40-2 | 4-Isoquinolinecarboxamide, 1,2-dihydro-2-methyl-N-(1-methylpropyl)-1-oxo-
CAS No: 148581-40-2 Catalog No: AG001L10 MDL No:
Product Description
Catalog Number:
AG001L10
Chemical Name:
4-Isoquinolinecarboxamide, 1,2-dihydro-2-methyl-N-(1-methylpropyl)-1-oxo-
CAS Number:
148581-40-2
Molecular Formula:
C15H18N2O2
Molecular Weight:
258.3156
IUPAC Name:
N-butan-2-yl-2-methyl-1-oxoisoquinoline-4-carboxamide
InChI:
InChI=1S/C15H18N2O2/c1-4-10(2)16-14(18)13-9-17(3)15(19)12-8-6-5-7-11(12)13/h5-10H,4H2,1-3H3,(H,16,18)
InChI Key:
XTIWBXFBGJBKDV-UHFFFAOYSA-N
SMILES:
CCC(NC(=O)c1cn(C)c(=O)c2c1cccc2)C
Properties
Complexity:
403
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:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
258.321g/mol
Monoisotopic Mass:
258.137g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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