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Home > Quinoline > 1072944-93-4
1072944-93-4 | (E)-3-(4-Hydroxy-8-methoxy-2-methylquinolin-3-yl)-N-(2-methoxyphenyl)but-2-enamide
CAS No: 1072944-93-4 Catalog No: AG003C0H MDL No:MFCD11504952
Product Description
Catalog Number:
AG003C0H
Chemical Name:
(E)-3-(4-Hydroxy-8-methoxy-2-methylquinolin-3-yl)-N-(2-methoxyphenyl)but-2-enamide
CAS Number:
1072944-93-4
Molecular Formula:
C22H22N2O4
Molecular Weight:
378.4211
MDL Number:
MFCD11504952
IUPAC Name:
(E)-3-(8-methoxy-2-methyl-4-oxo-1H-quinolin-3-yl)-N-(2-methoxyphenyl)but-2-enamide
InChI:
InChI=1S/C22H22N2O4/c1-13(12-19(25)24-16-9-5-6-10-17(16)27-3)20-14(2)23-21-15(22(20)26)8-7-11-18(21)28-4/h5-12H,1-4H3,(H,23,26)(H,24,25)/b13-12+
InChI Key:
DRIRBMCODRUJKT-OUKQBFOZSA-N
SMILES:
COc1ccccc1NC(=O)/C=C(/c1c(C)nc2c(c1O)cccc2OC)\C
Properties
Complexity:
669
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
378.158g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
378.428g/mol
Monoisotopic Mass:
378.158g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
76.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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