About 4-[[4-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[4-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[4-(7,8-dihydro-5H-1,6-naphthyridin-6-ylmethyl)phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;formic acid;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-3-yl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methoxy]isoindole-1,3-dione
4-[[4-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[4-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[4-(7,8-dihydro-5H-1,6-naphthyridin-6-ylmethyl)phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;formic acid;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-3-yl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methoxy]isoindole-1,3-dione (PubChem CID 159714524) has the molecular formula C170H174N22O26S
and a molecular weight of 2973.46 g/mol. Its IUPAC name is 4-[[4-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[4-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[4-(7,8-dihydro-5H-1,6-naphthyridin-6-ylmethyl)phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;formic acid;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-3-yl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methoxy]isoindole-1,3-dione.
Frequently Asked Questions
What is the IUPAC name of 4-[[4-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[4-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[4-(7,8-dihydro-5H-1,6-naphthyridin-6-ylmethyl)phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;formic acid;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-3-yl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methoxy]isoindole-1,3-dione?
The IUPAC name of 4-[[4-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[4-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[4-(7,8-dihydro-5H-1,6-naphthyridin-6-ylmethyl)phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;formic acid;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-3-yl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methoxy]isoindole-1,3-dione (CID 159714524) is 4-[[4-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[4-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[4-(7,8-dihydro-5H-1,6-naphthyridin-6-ylmethyl)phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;formic acid;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-3-yl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methoxy]isoindole-1,3-dione.
What is the SMILES notation for 4-[[4-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[4-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[4-(7,8-dihydro-5H-1,6-naphthyridin-6-ylmethyl)phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;formic acid;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-3-yl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methoxy]isoindole-1,3-dione?
The canonical SMILES for 4-[[4-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[4-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[4-(7,8-dihydro-5H-1,6-naphthyridin-6-ylmethyl)phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;formic acid;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-3-yl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methoxy]isoindole-1,3-dione is C=C1CCC(N2C(=O)c3cccc(OCc4ccc(CN5CCc6ncccc6C5)cc4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(OCc4nc(CN5CCOCC5)cs4)c3C2=O)C(=O)N1.C=C1CCC(N2Cc3c(OCc4cc(CN5CCOCC5)n(C)n4)cccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3c(OCc4ccc(CN5CCOc6ccccc65)cc4)cccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3c(OCc4ccc(CN5CCOc6ccccc6C5)cc4)cccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3c(OCc4ccc(CN5CCc6ccccc6C5)cc4)cccc3C2=O)C(=O)N1.O=CO.
What is the InChIKey of 4-[[4-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[4-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[4-(7,8-dihydro-5H-1,6-naphthyridin-6-ylmethyl)phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;formic acid;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-3-yl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methoxy]isoindole-1,3-dione?
The InChIKey is MZGKBBNSZOQCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31N3O4.C31H31N3O3.C30H28N4O4.C30H29N3O4.C24H29N5O4.C23H24N4O5S.CH2O2/c1-21-9-14-27(30(35)32-21)34-19-26-25(31(34)36)6-4-8-29(26)38-20-23-12-10-22(11-13-23)17-33-15-16-37-28-7-3-2-5-24(28)18-33;1-21-9-14-28(30(35)32-21)34-19-27-26(31(34)36)7-4-8-29(27)37-20-23-12-10-22(11-13-23)17-33-16-15-24-5-2-3-6-25(24)18-33;1-19-7-12-25(28(35)32-19)34-29(36)23-5-2-6-26(27(23)30(34)37)38-18-21-10-8-20(9-11-21)16-33-15-13-24-22(17-33)4-3-14-31-24;1-20-9-14-26(29(34)31-20)33-18-24-23(30(33)35)5-4-8-27(24)37-19-22-12-10-21(11-13-22)17-32-15-16-36-28-7-3-2-6-25(28)32;1-16-6-7-21(23(30)25-16)29-14-20-19(24(29)31)4-3-5-22(20)33-15-17-12-18(27(2)26-17)13-28-8-10-32-11-9-28;1-14-5-6-17(21(28)24-14)27-22(29)16-3-2-4-18(20(16)23(27)30)32-12-19-25-15(13-33-19)11-26-7-9-31-10-8-26;2-1-3/h2-8,10-13,27H,1,9,14-20H2,(H,32,35);2-8,10-13,28H,1,9,14-20H2,(H,32,35);2-6,8-11,14,25H,1,7,12-13,15-18H2,(H,32,35);2-8,10-13,26H,1,9,14-19H2,(H,31,34);3-5,12,21H,1,6-11,13-15H2,2H3,(H,25,30);2-4,13,17H,1,5-12H2,(H,24,28);1H,(H,2,3).
What are the key properties of 4-[[4-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[4-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[4-(7,8-dihydro-5H-1,6-naphthyridin-6-ylmethyl)phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;formic acid;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-3-yl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methoxy]isoindole-1,3-dione?
4-[[4-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[4-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[4-(7,8-dihydro-5H-1,6-naphthyridin-6-ylmethyl)phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;formic acid;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-3-yl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methoxy]isoindole-1,3-dione has a molecular weight of 2973.46 g/mol, XLogP of 20.22, 36 rotatable bonds, 7 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[4-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[4-(7,8-dihydro-5H-1,6-naphthyridin-6-ylmethyl)phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;formic acid;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-3-yl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methoxy]isoindole-1,3-dione is sourced from PubChem (CID 159714524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).