About 5-(1H-benzimidazol-2-ylmethyl)-3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-6H-pyrrolo[3,4-g]quinolin-8-one;2-[3-[(5-chloro-2,4-difluorophenyl)methyl]-9-hydroxy-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]acetic acid;5-[2-(1,1-dioxo-1,3-thiazolidin-3-yl)-2-oxoethyl]-3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-6H-pyrrolo[3,4-g]quinolin-8-one;3-[(4-fluorophenyl)methyl]-9-hydroxy-5-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-7-methyl-6H-pyrrolo[3,4-g]quinolin-8-one;2-[3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]-N-(1H-pyrazol-5-yl)acetamide;2-[3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
5-(1H-benzimidazol-2-ylmethyl)-3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-6H-pyrrolo[3,4-g]quinolin-8-one;2-[3-[(5-chloro-2,4-difluorophenyl)methyl]-9-hydroxy-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]acetic acid;5-[2-(1,1-dioxo-1,3-thiazolidin-3-yl)-2-oxoethyl]-3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-6H-pyrrolo[3,4-g]quinolin-8-one;3-[(4-fluorophenyl)methyl]-9-hydroxy-5-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-7-methyl-6H-pyrrolo[3,4-g]quinolin-8-one;2-[3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]-N-(1H-pyrazol-5-yl)acetamide;2-[3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 158903529) has the molecular formula C145H116ClF7N24O19S2
and a molecular weight of 2731.24 g/mol. Its IUPAC name is 5-(1H-benzimidazol-2-ylmethyl)-3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-6H-pyrrolo[3,4-g]quinolin-8-one;2-[3-[(5-chloro-2,4-difluorophenyl)methyl]-9-hydroxy-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]acetic acid;5-[2-(1,1-dioxo-1,3-thiazolidin-3-yl)-2-oxoethyl]-3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-6H-pyrrolo[3,4-g]quinolin-8-one;3-[(4-fluorophenyl)methyl]-9-hydroxy-5-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-7-methyl-6H-pyrrolo[3,4-g]quinolin-8-one;2-[3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]-N-(1H-pyrazol-5-yl)acetamide;2-[3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide.
Frequently Asked Questions
What is the IUPAC name of 5-(1H-benzimidazol-2-ylmethyl)-3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-6H-pyrrolo[3,4-g]quinolin-8-one;2-[3-[(5-chloro-2,4-difluorophenyl)methyl]-9-hydroxy-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]acetic acid;5-[2-(1,1-dioxo-1,3-thiazolidin-3-yl)-2-oxoethyl]-3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-6H-pyrrolo[3,4-g]quinolin-8-one;3-[(4-fluorophenyl)methyl]-9-hydroxy-5-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-7-methyl-6H-pyrrolo[3,4-g]quinolin-8-one;2-[3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]-N-(1H-pyrazol-5-yl)acetamide;2-[3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 5-(1H-benzimidazol-2-ylmethyl)-3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-6H-pyrrolo[3,4-g]quinolin-8-one;2-[3-[(5-chloro-2,4-difluorophenyl)methyl]-9-hydroxy-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]acetic acid;5-[2-(1,1-dioxo-1,3-thiazolidin-3-yl)-2-oxoethyl]-3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-6H-pyrrolo[3,4-g]quinolin-8-one;3-[(4-fluorophenyl)methyl]-9-hydroxy-5-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-7-methyl-6H-pyrrolo[3,4-g]quinolin-8-one;2-[3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]-N-(1H-pyrazol-5-yl)acetamide;2-[3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide (CID 158903529) is 5-(1H-benzimidazol-2-ylmethyl)-3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-6H-pyrrolo[3,4-g]quinolin-8-one;2-[3-[(5-chloro-2,4-difluorophenyl)methyl]-9-hydroxy-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]acetic acid;5-[2-(1,1-dioxo-1,3-thiazolidin-3-yl)-2-oxoethyl]-3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-6H-pyrrolo[3,4-g]quinolin-8-one;3-[(4-fluorophenyl)methyl]-9-hydroxy-5-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-7-methyl-6H-pyrrolo[3,4-g]quinolin-8-one;2-[3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]-N-(1H-pyrazol-5-yl)acetamide;2-[3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 5-(1H-benzimidazol-2-ylmethyl)-3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-6H-pyrrolo[3,4-g]quinolin-8-one;2-[3-[(5-chloro-2,4-difluorophenyl)methyl]-9-hydroxy-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]acetic acid;5-[2-(1,1-dioxo-1,3-thiazolidin-3-yl)-2-oxoethyl]-3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-6H-pyrrolo[3,4-g]quinolin-8-one;3-[(4-fluorophenyl)methyl]-9-hydroxy-5-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-7-methyl-6H-pyrrolo[3,4-g]quinolin-8-one;2-[3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]-N-(1H-pyrazol-5-yl)acetamide;2-[3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 5-(1H-benzimidazol-2-ylmethyl)-3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-6H-pyrrolo[3,4-g]quinolin-8-one;2-[3-[(5-chloro-2,4-difluorophenyl)methyl]-9-hydroxy-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]acetic acid;5-[2-(1,1-dioxo-1,3-thiazolidin-3-yl)-2-oxoethyl]-3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-6H-pyrrolo[3,4-g]quinolin-8-one;3-[(4-fluorophenyl)methyl]-9-hydroxy-5-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-7-methyl-6H-pyrrolo[3,4-g]quinolin-8-one;2-[3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]-N-(1H-pyrazol-5-yl)acetamide;2-[3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide is CN1Cc2c(c(O)c3ncc(Cc4cc(Cl)c(F)cc4F)cc3c2CC(=O)O)C1=O.CN1Cc2c(c(O)c3ncc(Cc4ccc(F)cc4)cc3c2CC(=O)N2CCS(=O)(=O)C2)C1=O.CN1Cc2c(c(O)c3ncc(Cc4ccc(F)cc4)cc3c2CC(=O)Nc2ccn[nH]2)C1=O.CN1Cc2c(c(O)c3ncc(Cc4ccc(F)cc4)cc3c2CC(=O)Nc2nncs2)C1=O.CN1Cc2c(c(O)c3ncc(Cc4ccc(F)cc4)cc3c2Cc2nc3ccccc3[nH]2)C1=O.CN1Cc2c(c(O)c3ncc(Cc4ccc(F)cc4)cc3c2Cc2nc3ncccc3[nH]2)C1=O.
What is the InChIKey of 5-(1H-benzimidazol-2-ylmethyl)-3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-6H-pyrrolo[3,4-g]quinolin-8-one;2-[3-[(5-chloro-2,4-difluorophenyl)methyl]-9-hydroxy-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]acetic acid;5-[2-(1,1-dioxo-1,3-thiazolidin-3-yl)-2-oxoethyl]-3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-6H-pyrrolo[3,4-g]quinolin-8-one;3-[(4-fluorophenyl)methyl]-9-hydroxy-5-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-7-methyl-6H-pyrrolo[3,4-g]quinolin-8-one;2-[3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]-N-(1H-pyrazol-5-yl)acetamide;2-[3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is JFTBHPQLIZSTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21FN4O2.C26H20FN5O2.C24H20FN5O3.C24H22FN3O5S.C23H18FN5O3S.C21H15ClF2N2O4/c1-32-14-20-18(12-23-30-21-4-2-3-5-22(21)31-23)19-11-16(10-15-6-8-17(28)9-7-15)13-29-25(19)26(33)24(20)27(32)34;1-32-13-19-17(11-21-30-20-3-2-8-28-25(20)31-21)18-10-15(9-14-4-6-16(27)7-5-14)12-29-23(18)24(33)22(19)26(32)34;1-30-12-18-16(10-20(31)28-19-6-7-27-29-19)17-9-14(8-13-2-4-15(25)5-3-13)11-26-22(17)23(32)21(18)24(30)33;1-27-12-19-17(10-20(29)28-6-7-34(32,33)13-28)18-9-15(8-14-2-4-16(25)5-3-14)11-26-22(18)23(30)21(19)24(27)31;1-29-10-17-15(8-18(30)27-23-28-26-11-33-23)16-7-13(6-12-2-4-14(24)5-3-12)9-25-20(16)21(31)19(17)22(29)32;1-26-8-13-11(5-17(27)28)12-3-9(2-10-4-14(22)16(24)6-15(10)23)7-25-19(12)20(29)18(13)21(26)30/h2-9,11,13,33H,10,12,14H2,1H3,(H,30,31);2-8,10,12,33H,9,11,13H2,1H3,(H,28,30,31);2-7,9,11,32H,8,10,12H2,1H3,(H2,27,28,29,31);2-5,9,11,30H,6-8,10,12-13H2,1H3;2-5,7,9,11,31H,6,8,10H2,1H3,(H,27,28,30);3-4,6-7,29H,2,5,8H2,1H3,(H,27,28).
What are the key properties of 5-(1H-benzimidazol-2-ylmethyl)-3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-6H-pyrrolo[3,4-g]quinolin-8-one;2-[3-[(5-chloro-2,4-difluorophenyl)methyl]-9-hydroxy-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]acetic acid;5-[2-(1,1-dioxo-1,3-thiazolidin-3-yl)-2-oxoethyl]-3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-6H-pyrrolo[3,4-g]quinolin-8-one;3-[(4-fluorophenyl)methyl]-9-hydroxy-5-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-7-methyl-6H-pyrrolo[3,4-g]quinolin-8-one;2-[3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]-N-(1H-pyrazol-5-yl)acetamide;2-[3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide?
5-(1H-benzimidazol-2-ylmethyl)-3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-6H-pyrrolo[3,4-g]quinolin-8-one;2-[3-[(5-chloro-2,4-difluorophenyl)methyl]-9-hydroxy-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]acetic acid;5-[2-(1,1-dioxo-1,3-thiazolidin-3-yl)-2-oxoethyl]-3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-6H-pyrrolo[3,4-g]quinolin-8-one;3-[(4-fluorophenyl)methyl]-9-hydroxy-5-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-7-methyl-6H-pyrrolo[3,4-g]quinolin-8-one;2-[3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]-N-(1H-pyrazol-5-yl)acetamide;2-[3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 2731.24 g/mol, XLogP of 20.98, 26 rotatable bonds, 12 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-benzimidazol-2-ylmethyl)-3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-6H-pyrrolo[3,4-g]quinolin-8-one;2-[3-[(5-chloro-2,4-difluorophenyl)methyl]-9-hydroxy-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]acetic acid;5-[2-(1,1-dioxo-1,3-thiazolidin-3-yl)-2-oxoethyl]-3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-6H-pyrrolo[3,4-g]quinolin-8-one;3-[(4-fluorophenyl)methyl]-9-hydroxy-5-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-7-methyl-6H-pyrrolo[3,4-g]quinolin-8-one;2-[3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]-N-(1H-pyrazol-5-yl)acetamide;2-[3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 158903529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).