About formic acid;4-[7-[[4-[(4-methylmorpholin-4-ium-4-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[(3-methyl-1,2-oxazol-5-yl)methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[5-(morpholin-4-ylmethyl)-2-pyridinyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[(4-pyridin-2-ylpyridin-1-ium-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione;formate
formic acid;4-[7-[[4-[(4-methylmorpholin-4-ium-4-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[(3-methyl-1,2-oxazol-5-yl)methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[5-(morpholin-4-ylmethyl)-2-pyridinyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[(4-pyridin-2-ylpyridin-1-ium-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione;formate (PubChem CID 158660308) has the molecular formula C156H158F3N18O33+
and a molecular weight of 2870.07 g/mol. Its IUPAC name is formic acid;4-[7-[[4-[(4-methylmorpholin-4-ium-4-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[(3-methyl-1,2-oxazol-5-yl)methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[5-(morpholin-4-ylmethyl)-2-pyridinyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[(4-pyridin-2-ylpyridin-1-ium-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione;formate.
Frequently Asked Questions
What is the IUPAC name of formic acid;4-[7-[[4-[(4-methylmorpholin-4-ium-4-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[(3-methyl-1,2-oxazol-5-yl)methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[5-(morpholin-4-ylmethyl)-2-pyridinyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[(4-pyridin-2-ylpyridin-1-ium-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione;formate?
The IUPAC name of formic acid;4-[7-[[4-[(4-methylmorpholin-4-ium-4-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[(3-methyl-1,2-oxazol-5-yl)methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[5-(morpholin-4-ylmethyl)-2-pyridinyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[(4-pyridin-2-ylpyridin-1-ium-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione;formate (CID 158660308) is formic acid;4-[7-[[4-[(4-methylmorpholin-4-ium-4-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[(3-methyl-1,2-oxazol-5-yl)methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[5-(morpholin-4-ylmethyl)-2-pyridinyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[(4-pyridin-2-ylpyridin-1-ium-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione;formate.
What is the SMILES notation for formic acid;4-[7-[[4-[(4-methylmorpholin-4-ium-4-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[(3-methyl-1,2-oxazol-5-yl)methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[5-(morpholin-4-ylmethyl)-2-pyridinyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[(4-pyridin-2-ylpyridin-1-ium-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione;formate?
The canonical SMILES for formic acid;4-[7-[[4-[(4-methylmorpholin-4-ium-4-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[(3-methyl-1,2-oxazol-5-yl)methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[5-(morpholin-4-ylmethyl)-2-pyridinyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[(4-pyridin-2-ylpyridin-1-ium-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione;formate is C[N+]1(Cc2ccc(COc3cccc4c3CN(C3CCC(=O)CC3=O)C4=O)cc2)CCOCC1.Cc1cc(COc2cccc3c2CN(C2CCC(=O)CC2=O)C3=O)on1.O=C1CCC(N2Cc3c(OCc4cc(CN5CCOCC5)on4)cccc3C2=O)C(=O)C1.O=C1CCC(N2Cc3c(OCc4ccc(CN5CCOCC5)cn4)cccc3C2=O)C(=O)C1.O=C1CCC(N2Cc3c(OCc4ccc(CN5CCn6c(nnc6C(F)(F)F)C5)cc4)cccc3C2=O)C(=O)C1.O=C1CCC(N2Cc3c(OCc4ccc(C[n+]5ccc(-c6ccccn6)cc5)cc4)cccc3C2=O)C(=O)C1.O=CO.O=C[O-].
What is the InChIKey of formic acid;4-[7-[[4-[(4-methylmorpholin-4-ium-4-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[(3-methyl-1,2-oxazol-5-yl)methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[5-(morpholin-4-ylmethyl)-2-pyridinyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[(4-pyridin-2-ylpyridin-1-ium-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione;formate?
The InChIKey is ICRBMJLEKUUXMP-UHFFFAOYSA-M. The full InChI is InChI=1S/C32H28N3O4.C28H26F3N5O4.C27H31N2O5.C25H27N3O5.C23H25N3O6.C19H18N2O5.2CH2O2/c36-25-11-12-29(30(37)18-25)35-20-27-26(32(35)38)4-3-6-31(27)39-21-23-9-7-22(8-10-23)19-34-16-13-24(14-17-34)28-5-1-2-15-33-28;29-28(30,31)27-33-32-25-15-34(10-11-35(25)27)13-17-4-6-18(7-5-17)16-40-24-3-1-2-20-21(24)14-36(26(20)39)22-9-8-19(37)12-23(22)38;1-29(11-13-33-14-12-29)17-19-5-7-20(8-6-19)18-34-26-4-2-3-22-23(26)16-28(27(22)32)24-10-9-21(30)15-25(24)31;29-19-6-7-22(23(30)12-19)28-15-21-20(25(28)31)2-1-3-24(21)33-16-18-5-4-17(13-26-18)14-27-8-10-32-11-9-27;27-16-4-5-20(21(28)11-16)26-13-19-18(23(26)29)2-1-3-22(19)31-14-15-10-17(32-24-15)12-25-6-8-30-9-7-25;1-11-7-13(26-20-11)10-25-18-4-2-3-14-15(18)9-21(19(14)24)16-6-5-12(22)8-17(16)23;2*2-1-3/h1-10,13-17,29H,11-12,18-21H2;1-7,22H,8-16H2;2-8,24H,9-18H2,1H3;1-5,13,22H,6-12,14-16H2;1-3,10,20H,4-9,11-14H2;2-4,7,16H,5-6,8-10H2,1H3;2*1H,(H,2,3)/q+1;;+1;;;;;/p-1.
What are the key properties of formic acid;4-[7-[[4-[(4-methylmorpholin-4-ium-4-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[(3-methyl-1,2-oxazol-5-yl)methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[5-(morpholin-4-ylmethyl)-2-pyridinyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[(4-pyridin-2-ylpyridin-1-ium-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione;formate?
formic acid;4-[7-[[4-[(4-methylmorpholin-4-ium-4-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[(3-methyl-1,2-oxazol-5-yl)methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[5-(morpholin-4-ylmethyl)-2-pyridinyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[(4-pyridin-2-ylpyridin-1-ium-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione;formate has a molecular weight of 2870.07 g/mol, XLogP of 14.88, 35 rotatable bonds, 1 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;4-[7-[[4-[(4-methylmorpholin-4-ium-4-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[(3-methyl-1,2-oxazol-5-yl)methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[5-(morpholin-4-ylmethyl)-2-pyridinyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[(4-pyridin-2-ylpyridin-1-ium-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione;formate is sourced from PubChem (CID 158660308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).