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853910-61-9 | 2-Methyl-2-[4-[3-methyl-2-oxo-8-[(pyridin-3-yl)ethynyl]-2,3-dihydroimidazo[4,5-c]quinolin-1-yl]phenyl]propionitrile
CAS No: 853910-61-9 Catalog No: AG00G7AP MDL No:
Product Description
Catalog Number:
AG00G7AP
Chemical Name:
2-Methyl-2-[4-[3-methyl-2-oxo-8-[(pyridin-3-yl)ethynyl]-2,3-dihydroimidazo[4,5-c]quinolin-1-yl]phenyl]propionitrile
CAS Number:
853910-61-9
IUPAC Name:
2-methyl-2-[4-[3-methyl-2-oxo-8-(2-pyridin-3-ylethynyl)imidazo[4,5-c]quinolin-1-yl]phenyl]propanenitrile
InChI:
InChI=1S/C28H21N5O/c1-28(2,18-29)21-9-11-22(12-10-21)33-26-23-15-19(6-7-20-5-4-14-30-16-20)8-13-24(23)31-17-25(26)32(3)27(33)34/h4-5,8-17H,1-3H3
InChI Key:
ISHNPDWTQUXPSY-UHFFFAOYSA-N
Properties
Complexity:
884
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
443.175g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
443.51g/mol
Monoisotopic Mass:
443.175g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
73.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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