2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-3-(4-fluorophenyl)-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-(4-fluorophenyl)-5H-pyrimido[5,4-b]indol-4-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/b793f544ff744a289766e69a2bc75a25.png "2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-3-(4-fluorophenyl)-5H-pyrimido[5,4-b]indol-4-one")
2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-3-(4-fluorophenyl)-5H-pyrimido[5,4-b]indol-4-one
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CAS No:
536710-78-8
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Formula:
C27H21FN4O2S
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Chemical Name:
2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-3-(4-fluorophenyl)-5H-pyrimido[5,4-b]indol-4-one
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Synonyms:
536710-78-8;2-((2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl)thio)-3-(4-fluorophenyl)-3H-pyrimido[5,4-b]indol-4(5H)-one;3-(4-fluorophenyl)-2-{[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]sulfanyl}-3H,4H,5H-pyrimido[5,4-b]indol-4-one;Oprea1_159103;CHEMBL2360991;HMS1901F02;ZINC2720847;AKOS002052427;MCULE-5413662082;NCGC00135391-01;2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-3-(4-fluorophenyl)-5H-pyrimido[5,4-b]indol-4-one;G856-1134;F0580-0668;2-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]thio}-3-(4-fluorophenyl)-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-(4-fluorophenyl)-5H-pyrimido[5,4-b]indol-4-one Basic Attributes
484.5 g/mol
484.13692526 g/mol
Computed Properties
Molecular Weight:484.5
XLogP3:5.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:484.13692526
Monoisotopic Mass:484.13692526
Topological Polar Surface Area:94.1
Heavy Atom Count:35
Complexity:847
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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