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1246213-23-9 | 3-QuinolinecarboxaMide, N-[2-(1,1-diMethylethyl)-5-hydroxy-4-(2-hydroxy-1,1-diMethylethyl)phenyl]-1,4-dihydro-4-oxo-
CAS No: 1246213-23-9 Catalog No: AG000MH1 MDL No:
Product Description
Catalog Number:
AG000MH1
Chemical Name:
3-QuinolinecarboxaMide, N-[2-(1,1-diMethylethyl)-5-hydroxy-4-(2-hydroxy-1,1-diMethylethyl)phenyl]-1,4-dihydro-4-oxo-
CAS Number:
1246213-23-9
Molecular Formula:
C24H28N2O4
Molecular Weight:
408.4901
IUPAC Name:
N-[2-tert-butyl-5-hydroxy-4-(1-hydroxy-2-methylpropan-2-yl)phenyl]-4-oxo-1H-quinoline-3-carboxamide
InChI:
InChI=1S/C24H28N2O4/c1-23(2,3)16-10-17(24(4,5)13-27)20(28)11-19(16)26-22(30)15-12-25-18-9-7-6-8-14(18)21(15)29/h6-12,27-28H,13H2,1-5H3,(H,25,29)(H,26,30)
InChI Key:
HFNOECBPRSJRQD-UHFFFAOYSA-N
SMILES:
OCC(c1cc(c(cc1O)NC(=O)c1c[nH]c2c(c1=O)cccc2)C(C)(C)C)(C)C
UNII:
6F3NVS9Y38
Properties
Complexity:
694
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
408.205g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
408.498g/mol
Monoisotopic Mass:
408.205g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
98.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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