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84811-86-9 | 3-Quinolinecarboxamide, 1,4-dihydro-N-(2-hydroxyethyl)-1-methyl-
CAS No: 84811-86-9 Catalog No: AG004X3Y MDL No:
Product Description
Catalog Number:
AG004X3Y
Chemical Name:
3-Quinolinecarboxamide, 1,4-dihydro-N-(2-hydroxyethyl)-1-methyl-
CAS Number:
84811-86-9
Molecular Formula:
C13H16N2O2
Molecular Weight:
232.2783
IUPAC Name:
N-(2-hydroxyethyl)-1-methyl-4H-quinoline-3-carboxamide
InChI:
InChI=1S/C13H16N2O2/c1-15-9-11(13(17)14-6-7-16)8-10-4-2-3-5-12(10)15/h2-5,9,16H,6-8H2,1H3,(H,14,17)
InChI Key:
QXEYUBCEIPMRAG-UHFFFAOYSA-N
SMILES:
OCCNC(=O)C1=CN(C)c2c(C1)cccc2
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.121g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
232.283g/mol
Monoisotopic Mass:
232.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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