About (9Z)-9-[[3-ethoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(4-fluorophenyl)-2,4-dimethylspiro[3,6-dihydro-[1,4]oxazino[3,4-c][1,2,4]triazine-7,3'-azetidine];(9Z)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methylspiro[3,6-dihydro-2H-pyrimido[2,1-c][1,4]oxazine-7,3'-oxane];bis((9Z)-4-(4-fluorophenyl)-9-[[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]spiro[4,6-dihydro-3H-[1,4]oxazino[3,4-c][1,2,4]oxadiazine-7,1'-cyclopropane]);(9Z)-4-(4-fluorophenyl)-9-[[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]spiro[2,3,4,6-tetrahydropyrimido[2,1-c][1,4]oxazine-7,3'-oxetane];(9Z)-4-(4-fluorophenyl)-9-[[5-(3-methyl-1,2,4-triazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]spiro[2,3,4,6-tetrahydropyrimido[2,1-c][1,4]oxazine-7,3'-oxetane]
(9Z)-9-[[3-ethoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(4-fluorophenyl)-2,4-dimethylspiro[3,6-dihydro-[1,4]oxazino[3,4-c][1,2,4]triazine-7,3'-azetidine];(9Z)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methylspiro[3,6-dihydro-2H-pyrimido[2,1-c][1,4]oxazine-7,3'-oxane];bis((9Z)-4-(4-fluorophenyl)-9-[[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]spiro[4,6-dihydro-3H-[1,4]oxazino[3,4-c][1,2,4]oxadiazine-7,1'-cyclopropane]);(9Z)-4-(4-fluorophenyl)-9-[[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]spiro[2,3,4,6-tetrahydropyrimido[2,1-c][1,4]oxazine-7,3'-oxetane];(9Z)-4-(4-fluorophenyl)-9-[[5-(3-methyl-1,2,4-triazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]spiro[2,3,4,6-tetrahydropyrimido[2,1-c][1,4]oxazine-7,3'-oxetane] (PubChem CID 162063368) has the molecular formula C168H169F6N27O13
and a molecular weight of 2888.36 g/mol. Its IUPAC name is (9Z)-9-[[3-ethoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(4-fluorophenyl)-2,4-dimethylspiro[3,6-dihydro-[1,4]oxazino[3,4-c][1,2,4]triazine-7,3'-azetidine];(9Z)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methylspiro[3,6-dihydro-2H-pyrimido[2,1-c][1,4]oxazine-7,3'-oxane];bis((9Z)-4-(4-fluorophenyl)-9-[[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]spiro[4,6-dihydro-3H-[1,4]oxazino[3,4-c][1,2,4]oxadiazine-7,1'-cyclopropane]);(9Z)-4-(4-fluorophenyl)-9-[[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]spiro[2,3,4,6-tetrahydropyrimido[2,1-c][1,4]oxazine-7,3'-oxetane];(9Z)-4-(4-fluorophenyl)-9-[[5-(3-methyl-1,2,4-triazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]spiro[2,3,4,6-tetrahydropyrimido[2,1-c][1,4]oxazine-7,3'-oxetane].
Frequently Asked Questions
What is the IUPAC name of (9Z)-9-[[3-ethoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(4-fluorophenyl)-2,4-dimethylspiro[3,6-dihydro-[1,4]oxazino[3,4-c][1,2,4]triazine-7,3'-azetidine];(9Z)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methylspiro[3,6-dihydro-2H-pyrimido[2,1-c][1,4]oxazine-7,3'-oxane];bis((9Z)-4-(4-fluorophenyl)-9-[[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]spiro[4,6-dihydro-3H-[1,4]oxazino[3,4-c][1,2,4]oxadiazine-7,1'-cyclopropane]);(9Z)-4-(4-fluorophenyl)-9-[[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]spiro[2,3,4,6-tetrahydropyrimido[2,1-c][1,4]oxazine-7,3'-oxetane];(9Z)-4-(4-fluorophenyl)-9-[[5-(3-methyl-1,2,4-triazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]spiro[2,3,4,6-tetrahydropyrimido[2,1-c][1,4]oxazine-7,3'-oxetane]?
The IUPAC name of (9Z)-9-[[3-ethoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(4-fluorophenyl)-2,4-dimethylspiro[3,6-dihydro-[1,4]oxazino[3,4-c][1,2,4]triazine-7,3'-azetidine];(9Z)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methylspiro[3,6-dihydro-2H-pyrimido[2,1-c][1,4]oxazine-7,3'-oxane];bis((9Z)-4-(4-fluorophenyl)-9-[[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]spiro[4,6-dihydro-3H-[1,4]oxazino[3,4-c][1,2,4]oxadiazine-7,1'-cyclopropane]);(9Z)-4-(4-fluorophenyl)-9-[[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]spiro[2,3,4,6-tetrahydropyrimido[2,1-c][1,4]oxazine-7,3'-oxetane];(9Z)-4-(4-fluorophenyl)-9-[[5-(3-methyl-1,2,4-triazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]spiro[2,3,4,6-tetrahydropyrimido[2,1-c][1,4]oxazine-7,3'-oxetane] (CID 162063368) is (9Z)-9-[[3-ethoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(4-fluorophenyl)-2,4-dimethylspiro[3,6-dihydro-[1,4]oxazino[3,4-c][1,2,4]triazine-7,3'-azetidine];(9Z)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methylspiro[3,6-dihydro-2H-pyrimido[2,1-c][1,4]oxazine-7,3'-oxane];bis((9Z)-4-(4-fluorophenyl)-9-[[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]spiro[4,6-dihydro-3H-[1,4]oxazino[3,4-c][1,2,4]oxadiazine-7,1'-cyclopropane]);(9Z)-4-(4-fluorophenyl)-9-[[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]spiro[2,3,4,6-tetrahydropyrimido[2,1-c][1,4]oxazine-7,3'-oxetane];(9Z)-4-(4-fluorophenyl)-9-[[5-(3-methyl-1,2,4-triazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]spiro[2,3,4,6-tetrahydropyrimido[2,1-c][1,4]oxazine-7,3'-oxetane].
What is the SMILES notation for (9Z)-9-[[3-ethoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(4-fluorophenyl)-2,4-dimethylspiro[3,6-dihydro-[1,4]oxazino[3,4-c][1,2,4]triazine-7,3'-azetidine];(9Z)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methylspiro[3,6-dihydro-2H-pyrimido[2,1-c][1,4]oxazine-7,3'-oxane];bis((9Z)-4-(4-fluorophenyl)-9-[[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]spiro[4,6-dihydro-3H-[1,4]oxazino[3,4-c][1,2,4]oxadiazine-7,1'-cyclopropane]);(9Z)-4-(4-fluorophenyl)-9-[[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]spiro[2,3,4,6-tetrahydropyrimido[2,1-c][1,4]oxazine-7,3'-oxetane];(9Z)-4-(4-fluorophenyl)-9-[[5-(3-methyl-1,2,4-triazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]spiro[2,3,4,6-tetrahydropyrimido[2,1-c][1,4]oxazine-7,3'-oxetane]?
The canonical SMILES for (9Z)-9-[[3-ethoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(4-fluorophenyl)-2,4-dimethylspiro[3,6-dihydro-[1,4]oxazino[3,4-c][1,2,4]triazine-7,3'-azetidine];(9Z)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methylspiro[3,6-dihydro-2H-pyrimido[2,1-c][1,4]oxazine-7,3'-oxane];bis((9Z)-4-(4-fluorophenyl)-9-[[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]spiro[4,6-dihydro-3H-[1,4]oxazino[3,4-c][1,2,4]oxadiazine-7,1'-cyclopropane]);(9Z)-4-(4-fluorophenyl)-9-[[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]spiro[2,3,4,6-tetrahydropyrimido[2,1-c][1,4]oxazine-7,3'-oxetane];(9Z)-4-(4-fluorophenyl)-9-[[5-(3-methyl-1,2,4-triazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]spiro[2,3,4,6-tetrahydropyrimido[2,1-c][1,4]oxazine-7,3'-oxetane] is CCOc1cc(/C=C2\OC3(CNC3)CN3C2=NN(C)CC3(C)c2ccc(F)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\OC3(CCCOC3)CN3C2=NCCC3(C)c2ccc(F)cc2)ccc1-n1cnc(C)c1.Cc1cn(-c2ccc(/C=C3\OC4(CC4)CN4C3=NOCC4c3ccc(F)cc3)c3c2CC3)cn1.Cc1cn(-c2ccc(/C=C3\OC4(CC4)CN4C3=NOCC4c3ccc(F)cc3)c3c2CC3)cn1.Cc1cn(-c2ccc(/C=C3\OC4(COC4)CN4C3=NCCC4c3ccc(F)cc3)c3c2CC3)cn1.Cc1ncn(-c2ccc(/C=C3\OC4(COC4)CN4C3=NCCC4c3ccc(F)cc3)c3c2CC3)n1.
What is the InChIKey of (9Z)-9-[[3-ethoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(4-fluorophenyl)-2,4-dimethylspiro[3,6-dihydro-[1,4]oxazino[3,4-c][1,2,4]triazine-7,3'-azetidine];(9Z)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methylspiro[3,6-dihydro-2H-pyrimido[2,1-c][1,4]oxazine-7,3'-oxane];bis((9Z)-4-(4-fluorophenyl)-9-[[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]spiro[4,6-dihydro-3H-[1,4]oxazino[3,4-c][1,2,4]oxadiazine-7,1'-cyclopropane]);(9Z)-4-(4-fluorophenyl)-9-[[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]spiro[2,3,4,6-tetrahydropyrimido[2,1-c][1,4]oxazine-7,3'-oxetane];(9Z)-4-(4-fluorophenyl)-9-[[5-(3-methyl-1,2,4-triazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]spiro[2,3,4,6-tetrahydropyrimido[2,1-c][1,4]oxazine-7,3'-oxetane]?
The InChIKey is ZADCCQKESUCNOZ-KEDINTLQSA-N. The full InChI is InChI=1S/C30H33FN4O3.C29H33FN6O2.C28H27FN4O2.C27H26FN5O2.2C27H25FN4O2/c1-21-17-34(20-33-21)25-10-5-22(15-26(25)36-3)16-27-28-32-13-12-29(2,23-6-8-24(31)9-7-23)35(28)18-30(38-27)11-4-14-37-19-30;1-5-37-25-12-21(6-11-24(25)35-14-20(2)32-19-35)13-26-27-33-34(4)17-28(3,22-7-9-23(30)10-8-22)36(27)18-29(38-26)15-31-16-29;1-18-13-32(17-31-18)25-9-4-20(22-7-8-23(22)25)12-26-27-30-11-10-24(19-2-5-21(29)6-3-19)33(27)14-28(35-26)15-34-16-28;1-17-30-16-33(31-17)24-9-4-19(21-7-8-22(21)24)12-25-26-29-11-10-23(18-2-5-20(28)6-3-18)32(26)13-27(35-25)14-34-15-27;2*1-17-13-31(16-29-17)23-9-4-19(21-7-8-22(21)23)12-25-26-30-33-14-24(18-2-5-20(28)6-3-18)32(26)15-27(34-25)10-11-27/h5-10,15-17,20H,4,11-14,18-19H2,1-3H3;6-14,19,31H,5,15-18H2,1-4H3;2-6,9,12-13,17,24H,7-8,10-11,14-16H2,1H3;2-6,9,12,16,23H,7-8,10-11,13-15H2,1H3;2*2-6,9,12-13,16,24H,7-8,10-11,14-15H2,1H3/b27-16-;26-13-;26-12-;3*25-12-.
What are the key properties of (9Z)-9-[[3-ethoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(4-fluorophenyl)-2,4-dimethylspiro[3,6-dihydro-[1,4]oxazino[3,4-c][1,2,4]triazine-7,3'-azetidine];(9Z)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methylspiro[3,6-dihydro-2H-pyrimido[2,1-c][1,4]oxazine-7,3'-oxane];bis((9Z)-4-(4-fluorophenyl)-9-[[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]spiro[4,6-dihydro-3H-[1,4]oxazino[3,4-c][1,2,4]oxadiazine-7,1'-cyclopropane]);(9Z)-4-(4-fluorophenyl)-9-[[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]spiro[2,3,4,6-tetrahydropyrimido[2,1-c][1,4]oxazine-7,3'-oxetane];(9Z)-4-(4-fluorophenyl)-9-[[5-(3-methyl-1,2,4-triazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]spiro[2,3,4,6-tetrahydropyrimido[2,1-c][1,4]oxazine-7,3'-oxetane]?
(9Z)-9-[[3-ethoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(4-fluorophenyl)-2,4-dimethylspiro[3,6-dihydro-[1,4]oxazino[3,4-c][1,2,4]triazine-7,3'-azetidine];(9Z)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methylspiro[3,6-dihydro-2H-pyrimido[2,1-c][1,4]oxazine-7,3'-oxane];bis((9Z)-4-(4-fluorophenyl)-9-[[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]spiro[4,6-dihydro-3H-[1,4]oxazino[3,4-c][1,2,4]oxadiazine-7,1'-cyclopropane]);(9Z)-4-(4-fluorophenyl)-9-[[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]spiro[2,3,4,6-tetrahydropyrimido[2,1-c][1,4]oxazine-7,3'-oxetane];(9Z)-4-(4-fluorophenyl)-9-[[5-(3-methyl-1,2,4-triazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]spiro[2,3,4,6-tetrahydropyrimido[2,1-c][1,4]oxazine-7,3'-oxetane] has a molecular weight of 2888.36 g/mol, XLogP of 26.80, 21 rotatable bonds, 1 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for (9Z)-9-[[3-ethoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(4-fluorophenyl)-2,4-dimethylspiro[3,6-dihydro-[1,4]oxazino[3,4-c][1,2,4]triazine-7,3'-azetidine];(9Z)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methylspiro[3,6-dihydro-2H-pyrimido[2,1-c][1,4]oxazine-7,3'-oxane];bis((9Z)-4-(4-fluorophenyl)-9-[[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]spiro[4,6-dihydro-3H-[1,4]oxazino[3,4-c][1,2,4]oxadiazine-7,1'-cyclopropane]);(9Z)-4-(4-fluorophenyl)-9-[[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]spiro[2,3,4,6-tetrahydropyrimido[2,1-c][1,4]oxazine-7,3'-oxetane];(9Z)-4-(4-fluorophenyl)-9-[[5-(3-methyl-1,2,4-triazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]spiro[2,3,4,6-tetrahydropyrimido[2,1-c][1,4]oxazine-7,3'-oxetane] is sourced from PubChem (CID 162063368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).