2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-3-(3-methoxyphenyl)-5H-pyrimido[5,4-b]indol-4-one
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![2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-3-(3-methoxyphenyl)-5H-pyrimido[5,4-b]indol-4-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/910af3322107427ea23980db408efd82.png "2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-3-(3-methoxyphenyl)-5H-pyrimido[5,4-b]indol-4-one")
2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-3-(3-methoxyphenyl)-5H-pyrimido[5,4-b]indol-4-one
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CAS No:
536706-33-9
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Formula:
C28H24N4O3S
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Chemical Name:
2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-3-(3-methoxyphenyl)-5H-pyrimido[5,4-b]indol-4-one
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Synonyms:
536706-33-9;2-((2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl)thio)-3-(3-methoxyphenyl)-3H-pyrimido[5,4-b]indol-4(5H)-one;3-(3-methoxyphenyl)-2-{[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]sulfanyl}-3H,4H,5H-pyrimido[5,4-b]indol-4-one;Oprea1_350413;CHEMBL1396394;HMS1901F09;ZINC2720723;AKOS002053235;MCULE-5968767852;NCGC00135535-01;2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-3-(3-methoxyphenyl)-5H-pyrimido[5,4-b]indol-4-one;G856-0988;F0580-0386;2-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]thio}-3-(3-methoxyphenyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
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CAS No:
2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-3-(3-methoxyphenyl)-5H-pyrimido[5,4-b]indol-4-one Basic Attributes
496.6 g/mol
496.15691181 g/mol
Computed Properties
Molecular Weight:496.6
XLogP3:5.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:496.15691181
Monoisotopic Mass:496.15691181
Topological Polar Surface Area:103
Heavy Atom Count:36
Complexity:868
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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