Name: Name:Ethyl 4-hydroxy-1-methyl-2-oxo-1,2-dihydroquinoline-3-carboxylate
Brand: AABLOCKS
SKU: AA00IOIM
Rating: 90 (10 reviews)

Technical Information

Catalog Number: AA00IOIM

Chemical Name: Ethyl 4-hydroxy-1-methyl-2-oxo-1,2-dihydroquinoline-3-carboxylate

CAS Number: 57513-54-9

Molecular Formula: C13H13NO4

Molecular Weight: 247.2466

MDL Number: MFCD00117242

SMILES: CCOC(=O)c1c(O)c2ccccc2n(c1=O)C

Properties

Form: Solid

Complexity: 402

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 18

Hydrogen Bond Acceptor Count: 4

Hydrogen Bond Donor Count: 1

Isotope Atom Count: 0

Rotatable Bond Count: 3

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

XLogP3: 1.9

Downstream Synthesis Route

504-29-0

57513-54-9

4-hydroxy-1-methyl-2-oxo-N-(pyridin-2-yl)-1,2-dihydroquinolin-3-carboxamide

[1]Ukrainets,I.V.;Taran,S.G.;Evtifeeva,O.A.;Turov,A.V.[ChemistryofHeterocyclicCompounds,1993,vol.29,#8,p.938-940][KhimiyaGeterotsiklicheskikhSoedinenii,1993,#8,p.1101-1104]

[2]CurrentPatentAssignee:KOREARESEARCHINSTITUTEOFCHEMICALTECHNOLOGY-KR2019/67546,2019,ALocationinpatent:Paragraph0376-0378

10328-92-4

105-53-3

57513-54-9

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[3]Banu,Saleha;Bollu,Rajitha;Naseema,Mohammad;Gomedhika,P.Mary;Nagarapu,Lingaiah;Sirisha;Kumar,C.Ganesh;Gundasw,ShravanKumar[BioorganicandMedicinalChemistryLetters,2018,vol.28,#7,p.1166-1170]

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[5]Pudlo,Marc;Luzet,Vincent;Ismaili,Lhassane;Tomassoli,Isabelle;Iutzeler,Anne;Refouvelet,Bernard[BioorganicandMedicinalChemistry,2014,vol.22,#8,p.2496-2507]

[6]Collin;Robert;Duflos;Wielgosz;LeBaut;Robin-Dubigeon;Grimaud;Lang;Petit[JournalofPharmacyandPharmacology,2001,vol.53,#3,p.417-423]

[7]Coppola,GaryM.;Damon,RobertE.;Hardtmann,GoetzE.[Synthesis,1981,#5,p.391-392]

[8]CurrentPatentAssignee:OTSUKAHOLDINGSCOLTD-WO2004/74218,2004,A2Locationinpatent:Page93

[9]CurrentPatentAssignee:GOVERNMENTOFSPAIN-EP2769720,2014,A1Locationinpatent:Paragraph0049

[10]CurrentPatentAssignee:GOVERNMENTOFSPAIN-US2015/57311,2015,A1Locationinpatent:Paragraph0134;0135;0136

[11]Locationinpatent:experimentalpartTomassoli,Isabelle;Ismaili,Lhassane;Pudlo,Marc;DeLosRíos,Cristóbal;Soriano,Elena;Colmena,Inés;Gandía,Luis;Rivas,Luis;Samadi,Abdelouahid;Marco-Contelles,José;Refouvelet,Bernard[EuropeanJournalofMedicinalChemistry,2011,vol.46,#1,p.1-10]

[12]Tomassoli,Isabelle;Herlem,Guillaume;Picaud,Fabien;Benchekroun,Mohamed;Bautista-Aguilera,OscarM.;Luzet,Vincent;Jimeno,María-Luisa;Gharbi,Tijani;Refouvelet,Bernard;Ismaili,Lhassane[MonatsheftefurChemie,2016,vol.147,#6,p.1069-1079]

[13]Shi,Jiandong;Xiao,Zili;Ihnat,MichaelA.;Kamat,Chandrashekhar;Pandit,Bulbul;Hu,Zhigen;Li,Pui-Kai[BioorganicandMedicinalChemistryLetters,2003,vol.13,#6,p.1187-1189]

[14]Jönsson,Stig;Andersson,Gunnar;Fex,Tomas;Fristedt,Tomas;Hedlund,Gunnar;Jansson,Karl;Abramo,Lisbeth;Fritzson,Ingela;Pekarski,Olga;Runström,Anna;Sandin,Helena;Thuvesson,Ingela;Björk,Anders[JournalofMedicinalChemistry,2004,vol.47,#8,p.2075-2088]

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16526-19-5

57513-54-9

153334-94-2

153334-93-1

[1]Reisch,Johannes;Iding,Marlies;Bassewitz,Ingovon[JournalofHeterocyclicChemistry,1993,vol.30,#4,p.977-980]

768-94-5

57513-54-9

1'-Adamantyl-4-hydroxy-N-methyl-3-chinolin-2(1H)-on-carbonsaeureamid

[1]Reisch;Iding[Pharmazie,1993,vol.48,#8,p.620-620]

57513-54-9

28144-70-9

1-methyl-2-oxo-4-hydroxyquinoline-3-carboxylicacid2-carbamylanilide

[1]Ukrainets,I.V.;Taran,S.G.;Bezuglyi,P.A.;Kovalenko,S.N.;Turov,A.V.;Marusenko,N.A.[ChemistryofHeterocyclicCompounds,1993,vol.29,#9,p.1044-1047][KhimiyaGeterotsiklicheskikhSoedinenii,1993,#9,p.1223-1226]

Literature fold

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology20060501

57513-54-9 | Ethyl 4-hydroxy-1-methyl-2-oxo-1,2-dihydroquinoline-3-carboxylate