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85986-74-9 | (5Z)-5-[(3-chlorophenyl)methylidene]-3-[(6-methoxy-2-methyl-quinolin-4-yl)amino]-2-methyl-imidazol-4-one
CAS No: 85986-74-9 Catalog No: AG004M6A MDL No:
Product Description
Catalog Number:
AG004M6A
Chemical Name:
(5Z)-5-[(3-chlorophenyl)methylidene]-3-[(6-methoxy-2-methyl-quinolin-4-yl)amino]-2-methyl-imidazol-4-one
CAS Number:
85986-74-9
Molecular Formula:
C22H19ClN4O2
Molecular Weight:
406.8649
IUPAC Name:
5-[(3-chlorophenyl)methylidene]-3-[(6-methoxy-2-methylquinolin-4-yl)amino]-2-methylimidazol-4-one
InChI:
InChI=1S/C22H19ClN4O2/c1-13-9-20(18-12-17(29-3)7-8-19(18)24-13)26-27-14(2)25-21(22(27)28)11-15-5-4-6-16(23)10-15/h4-12H,1-3H3,(H,24,26)
InChI Key:
VWNWOYDKFFNFSA-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)c(cc(n2)C)NN1C(=N/C(=C\c2cccc(c2)Cl)/C1=O)C
Properties
Complexity:
682
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
406.12g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
406.87g/mol
Monoisotopic Mass:
406.12g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.7
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