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114496-25-2 | 4(3H)-Quinazolinone, 3-[4-[(3,4-dimethoxyphenyl)methylene]-4,5-dihydro-2-methyl-5-oxo-1H-imidazol-1-yl]-6-iodo-2-methyl-
CAS No: 114496-25-2 Catalog No: AG000EKD MDL No:
Product Description
Catalog Number:
AG000EKD
Chemical Name:
4(3H)-Quinazolinone, 3-[4-[(3,4-dimethoxyphenyl)methylene]-4,5-dihydro-2-methyl-5-oxo-1H-imidazol-1-yl]-6-iodo-2-methyl-
CAS Number:
114496-25-2
Molecular Formula:
C22H19IN4O4
Molecular Weight:
530.3151
IUPAC Name:
3-[4-[(3,4-dimethoxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]-6-iodo-2-methylquinazolin-4-one
InChI:
InChI=1S/C22H19IN4O4/c1-12-24-17-7-6-15(23)11-16(17)21(28)26(12)27-13(2)25-18(22(27)29)9-14-5-8-19(30-3)20(10-14)31-4/h5-11H,1-4H3
InChI Key:
FZOGBZPQTZEKLE-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)C=C1N=C(N(C1=O)n1c(C)nc2c(c1=O)cc(cc2)I)C
Properties
Complexity:
841
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
530.045g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
530.322g/mol
Monoisotopic Mass:
530.045g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.9
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