About 3,4-dihydro-2H-1,4-benzoxazine;1-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]butane-1,3-dione;bis(3-(2,3-dihydro-1,4-benzoxazin-4-yl)-3-oxopropanoic acid);2,3-dihydro-1H-indole;1-(2,3-dihydroindol-1-yl)-4-[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]butane-1,3-dione;bis(3-(2,3-dihydroindol-1-yl)-3-oxopropanoic acid);4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluoroaniline;3-[2-[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]acetyl]-1-phenylpyrrolidin-2-one;methyl 3-chloro-3-oxopropanoate;methyl 3-(2,3-dihydro-1,4-benzoxazin-4-yl)-3-oxopropanoate;methyl 3-(2,3-dihydroindol-1-yl)-3-oxopropanoate;2-oxo-1-phenylpyrrolidine-3-carboxylic acid
3,4-dihydro-2H-1,4-benzoxazine;1-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]butane-1,3-dione;bis(3-(2,3-dihydro-1,4-benzoxazin-4-yl)-3-oxopropanoic acid);2,3-dihydro-1H-indole;1-(2,3-dihydroindol-1-yl)-4-[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]butane-1,3-dione;bis(3-(2,3-dihydroindol-1-yl)-3-oxopropanoic acid);4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluoroaniline;3-[2-[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]acetyl]-1-phenylpyrrolidin-2-one;methyl 3-chloro-3-oxopropanoate;methyl 3-(2,3-dihydro-1,4-benzoxazin-4-yl)-3-oxopropanoate;methyl 3-(2,3-dihydroindol-1-yl)-3-oxopropanoate;2-oxo-1-phenylpyrrolidine-3-carboxylic acid (PubChem CID 161213871) has the molecular formula C207H194ClF4N25O39S4
and a molecular weight of 3895.68 g/mol. Its IUPAC name is 3,4-dihydro-2H-1,4-benzoxazine;1-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]butane-1,3-dione;bis(3-(2,3-dihydro-1,4-benzoxazin-4-yl)-3-oxopropanoic acid);2,3-dihydro-1H-indole;1-(2,3-dihydroindol-1-yl)-4-[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]butane-1,3-dione;bis(3-(2,3-dihydroindol-1-yl)-3-oxopropanoic acid);4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluoroaniline;3-[2-[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]acetyl]-1-phenylpyrrolidin-2-one;methyl 3-chloro-3-oxopropanoate;methyl 3-(2,3-dihydro-1,4-benzoxazin-4-yl)-3-oxopropanoate;methyl 3-(2,3-dihydroindol-1-yl)-3-oxopropanoate;2-oxo-1-phenylpyrrolidine-3-carboxylic acid.
Frequently Asked Questions
What is the IUPAC name of 3,4-dihydro-2H-1,4-benzoxazine;1-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]butane-1,3-dione;bis(3-(2,3-dihydro-1,4-benzoxazin-4-yl)-3-oxopropanoic acid);2,3-dihydro-1H-indole;1-(2,3-dihydroindol-1-yl)-4-[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]butane-1,3-dione;bis(3-(2,3-dihydroindol-1-yl)-3-oxopropanoic acid);4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluoroaniline;3-[2-[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]acetyl]-1-phenylpyrrolidin-2-one;methyl 3-chloro-3-oxopropanoate;methyl 3-(2,3-dihydro-1,4-benzoxazin-4-yl)-3-oxopropanoate;methyl 3-(2,3-dihydroindol-1-yl)-3-oxopropanoate;2-oxo-1-phenylpyrrolidine-3-carboxylic acid?
The IUPAC name of 3,4-dihydro-2H-1,4-benzoxazine;1-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]butane-1,3-dione;bis(3-(2,3-dihydro-1,4-benzoxazin-4-yl)-3-oxopropanoic acid);2,3-dihydro-1H-indole;1-(2,3-dihydroindol-1-yl)-4-[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]butane-1,3-dione;bis(3-(2,3-dihydroindol-1-yl)-3-oxopropanoic acid);4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluoroaniline;3-[2-[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]acetyl]-1-phenylpyrrolidin-2-one;methyl 3-chloro-3-oxopropanoate;methyl 3-(2,3-dihydro-1,4-benzoxazin-4-yl)-3-oxopropanoate;methyl 3-(2,3-dihydroindol-1-yl)-3-oxopropanoate;2-oxo-1-phenylpyrrolidine-3-carboxylic acid (CID 161213871) is 3,4-dihydro-2H-1,4-benzoxazine;1-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]butane-1,3-dione;bis(3-(2,3-dihydro-1,4-benzoxazin-4-yl)-3-oxopropanoic acid);2,3-dihydro-1H-indole;1-(2,3-dihydroindol-1-yl)-4-[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]butane-1,3-dione;bis(3-(2,3-dihydroindol-1-yl)-3-oxopropanoic acid);4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluoroaniline;3-[2-[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]acetyl]-1-phenylpyrrolidin-2-one;methyl 3-chloro-3-oxopropanoate;methyl 3-(2,3-dihydro-1,4-benzoxazin-4-yl)-3-oxopropanoate;methyl 3-(2,3-dihydroindol-1-yl)-3-oxopropanoate;2-oxo-1-phenylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3,4-dihydro-2H-1,4-benzoxazine;1-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]butane-1,3-dione;bis(3-(2,3-dihydro-1,4-benzoxazin-4-yl)-3-oxopropanoic acid);2,3-dihydro-1H-indole;1-(2,3-dihydroindol-1-yl)-4-[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]butane-1,3-dione;bis(3-(2,3-dihydroindol-1-yl)-3-oxopropanoic acid);4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluoroaniline;3-[2-[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]acetyl]-1-phenylpyrrolidin-2-one;methyl 3-chloro-3-oxopropanoate;methyl 3-(2,3-dihydro-1,4-benzoxazin-4-yl)-3-oxopropanoate;methyl 3-(2,3-dihydroindol-1-yl)-3-oxopropanoate;2-oxo-1-phenylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 3,4-dihydro-2H-1,4-benzoxazine;1-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]butane-1,3-dione;bis(3-(2,3-dihydro-1,4-benzoxazin-4-yl)-3-oxopropanoic acid);2,3-dihydro-1H-indole;1-(2,3-dihydroindol-1-yl)-4-[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]butane-1,3-dione;bis(3-(2,3-dihydroindol-1-yl)-3-oxopropanoic acid);4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluoroaniline;3-[2-[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]acetyl]-1-phenylpyrrolidin-2-one;methyl 3-chloro-3-oxopropanoate;methyl 3-(2,3-dihydro-1,4-benzoxazin-4-yl)-3-oxopropanoate;methyl 3-(2,3-dihydroindol-1-yl)-3-oxopropanoate;2-oxo-1-phenylpyrrolidine-3-carboxylic acid is CCn1cnc(-c2cc3nccc(Oc4ccc(CC(=O)C5CCN(c6ccccc6)C5=O)cc4F)c3s2)c1.CCn1cnc(-c2cc3nccc(Oc4ccc(CC(=O)CC(=O)N5CCOc6ccccc65)cc4F)c3s2)c1.CCn1cnc(-c2cc3nccc(Oc4ccc(CC(=O)CC(=O)N5CCc6ccccc65)cc4F)c3s2)c1.CCn1cnc(-c2cc3nccc(Oc4ccc(N)cc4F)c3s2)c1.COC(=O)CC(=O)Cl.COC(=O)CC(=O)N1CCOc2ccccc21.COC(=O)CC(=O)N1CCc2ccccc21.O=C(O)C1CCN(c2ccccc2)C1=O.O=C(O)CC(=O)N1CCOc2ccccc21.O=C(O)CC(=O)N1CCOc2ccccc21.O=C(O)CC(=O)N1CCc2ccccc21.O=C(O)CC(=O)N1CCc2ccccc21.c1ccc2c(c1)CCN2.c1ccc2c(c1)NCCO2.
What is the InChIKey of 3,4-dihydro-2H-1,4-benzoxazine;1-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]butane-1,3-dione;bis(3-(2,3-dihydro-1,4-benzoxazin-4-yl)-3-oxopropanoic acid);2,3-dihydro-1H-indole;1-(2,3-dihydroindol-1-yl)-4-[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]butane-1,3-dione;bis(3-(2,3-dihydroindol-1-yl)-3-oxopropanoic acid);4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluoroaniline;3-[2-[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]acetyl]-1-phenylpyrrolidin-2-one;methyl 3-chloro-3-oxopropanoate;methyl 3-(2,3-dihydro-1,4-benzoxazin-4-yl)-3-oxopropanoate;methyl 3-(2,3-dihydroindol-1-yl)-3-oxopropanoate;2-oxo-1-phenylpyrrolidine-3-carboxylic acid?
The InChIKey is UWPCQLQNGAYPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25FN4O4S.2C30H25FN4O3S.C18H15FN4OS.C12H13NO4.C12H13NO3.2C11H11NO4.3C11H11NO3.C8H9NO.C8H9N.C4H5ClO3/c1-2-34-17-23(33-18-34)28-16-22-30(40-28)27(9-10-32-22)39-25-8-7-19(14-21(25)31)13-20(36)15-29(37)35-11-12-38-26-6-4-3-5-24(26)35;1-2-34-17-24(33-18-34)28-16-23-30(39-28)27(9-11-32-23)38-26-8-7-19(14-22(26)31)13-21(36)15-29(37)35-12-10-20-5-3-4-6-25(20)35;1-2-34-17-24(33-18-34)28-16-23-29(39-28)27(10-12-32-23)38-26-9-8-19(14-22(26)31)15-25(36)21-11-13-35(30(21)37)20-6-4-3-5-7-20;1-2-23-9-14(22-10-23)17-8-13-18(25-17)16(5-6-21-13)24-15-4-3-11(20)7-12(15)19;1-16-12(15)8-11(14)13-6-7-17-10-5-3-2-4-9(10)13;1-16-12(15)8-11(14)13-7-6-9-4-2-3-5-10(9)13;2*13-10(7-11(14)15)12-5-6-16-9-4-2-1-3-8(9)12;2*13-10(7-11(14)15)12-6-5-8-3-1-2-4-9(8)12;13-10-9(11(14)15)6-7-12(10)8-4-2-1-3-5-8;1-2-4-8-7(3-1)9-5-6-10-8;1-2-4-8-7(3-1)5-6-9-8;1-8-4(7)2-3(5)6/h3-10,14,16-18H,2,11-13,15H2,1H3;3-9,11,14,16-18H,2,10,12-13,15H2,1H3;3-10,12,14,16-18,21H,2,11,13,15H2,1H3;3-10H,2,20H2,1H3;2-5H,6-8H2,1H3;2-5H,6-8H2,1H3;2*1-4H,5-7H2,(H,14,15);2*1-4H,5-7H2,(H,14,15);1-5,9H,6-7H2,(H,14,15);1-4,9H,5-6H2;1-4,9H,5-6H2;2H2,1H3.
What are the key properties of 3,4-dihydro-2H-1,4-benzoxazine;1-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]butane-1,3-dione;bis(3-(2,3-dihydro-1,4-benzoxazin-4-yl)-3-oxopropanoic acid);2,3-dihydro-1H-indole;1-(2,3-dihydroindol-1-yl)-4-[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]butane-1,3-dione;bis(3-(2,3-dihydroindol-1-yl)-3-oxopropanoic acid);4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluoroaniline;3-[2-[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]acetyl]-1-phenylpyrrolidin-2-one;methyl 3-chloro-3-oxopropanoate;methyl 3-(2,3-dihydro-1,4-benzoxazin-4-yl)-3-oxopropanoate;methyl 3-(2,3-dihydroindol-1-yl)-3-oxopropanoate;2-oxo-1-phenylpyrrolidine-3-carboxylic acid?
3,4-dihydro-2H-1,4-benzoxazine;1-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]butane-1,3-dione;bis(3-(2,3-dihydro-1,4-benzoxazin-4-yl)-3-oxopropanoic acid);2,3-dihydro-1H-indole;1-(2,3-dihydroindol-1-yl)-4-[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]butane-1,3-dione;bis(3-(2,3-dihydroindol-1-yl)-3-oxopropanoic acid);4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluoroaniline;3-[2-[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]acetyl]-1-phenylpyrrolidin-2-one;methyl 3-chloro-3-oxopropanoate;methyl 3-(2,3-dihydro-1,4-benzoxazin-4-yl)-3-oxopropanoate;methyl 3-(2,3-dihydroindol-1-yl)-3-oxopropanoate;2-oxo-1-phenylpyrrolidine-3-carboxylic acid has a molecular weight of 3895.68 g/mol, XLogP of 33.78, 44 rotatable bonds, 8 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-1,4-benzoxazine;1-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]butane-1,3-dione;bis(3-(2,3-dihydro-1,4-benzoxazin-4-yl)-3-oxopropanoic acid);2,3-dihydro-1H-indole;1-(2,3-dihydroindol-1-yl)-4-[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]butane-1,3-dione;bis(3-(2,3-dihydroindol-1-yl)-3-oxopropanoic acid);4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluoroaniline;3-[2-[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]acetyl]-1-phenylpyrrolidin-2-one;methyl 3-chloro-3-oxopropanoate;methyl 3-(2,3-dihydro-1,4-benzoxazin-4-yl)-3-oxopropanoate;methyl 3-(2,3-dihydroindol-1-yl)-3-oxopropanoate;2-oxo-1-phenylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 161213871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).