magnesium;benzene;7-[(4-fluorophenyl)methyl]-6,9-dihydroxy-5-methoxy-6-phenylpyrrolo[3,4-g]quinolin-8-one;7-[(4-fluorophenyl)methyl]-6-hydroxy-5-methoxy-6-phenyl-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinolin-8-one;7-[(4-fluorophenyl)methyl]-5-methoxy-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinoline-6,8-dione;oxolane;bromide

C97H104BrF3MgN6O13Si2 — CID 157211669

IUPACmagnesium;benzene;7-[(4-fluorophenyl)methyl]-6,9-dihydroxy-5-methoxy-6-phenylpyrrolo[3,4-g]quinolin-8-one;7-[(4-fluorophenyl)methyl]-6-hydroxy-5-methoxy-6-phenyl-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinolin-8-one;7-[(4-fluorophenyl)methyl]-5-methoxy-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinoline-6,8-dione;oxolane;bromide
SMILESC1CCOC1.COc1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2(O)c1ccccc1.COc1c2c(c(O[Si](C(C)C)(C(C)C)C(C)C)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2(O)c1ccccc1.COc1c2c(c(O[Si](C(C)C)(C(C)C)C(C)C)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2=O.[Br-].[Mg+2].[c-]1ccccc1
InChIInChI=1S/C34H39FN2O4Si.C28H33FN2O4Si.C25H19FN2O4.C6H5.C4H8O.BrH.Mg/c1-21(2)42(22(3)4,23(5)6)41-32-28-29(31(40-7)27-14-11-19-36-30(27)32)34(39,25-12-9-8-10-13-25)37(33(28)38)20-24-15-17-26(35)18-16-24;1-16(2)36(17(3)4,18(5)6)35-26-23-22(25(34-7)21-9-8-14-30-24(21)26)27(32)31(28(23)33)15-19-10-12-20(29)13-11-19;1-32-23-18-8-5-13-27-21(18)22(29)19-20(23)25(31,16-6-3-2-4-7-16)28(24(19)30)14-15-9-11-17(26)12-10-15;1-2-4-6-5-3-1;1-2-4-5-3-1;;/h8-19,21-23,39H,20H2,1-7H3;8-14,16-18H,15H2,1-7H3;2-13,29,31H,14H2,1H3;1-5H;1-4H2;1H;/q;;;-1;;;+2/p-1
InChIKeyCMACJRSJMNDYNA-UHFFFAOYSA-M
MW1779.30 g/mol
LogP17.36
Rot. Bonds21

About magnesium;benzene;7-[(4-fluorophenyl)methyl]-6,9-dihydroxy-5-methoxy-6-phenylpyrrolo[3,4-g]quinolin-8-one;7-[(4-fluorophenyl)methyl]-6-hydroxy-5-methoxy-6-phenyl-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinolin-8-one;7-[(4-fluorophenyl)methyl]-5-methoxy-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinoline-6,8-dione;oxolane;bromide

magnesium;benzene;7-[(4-fluorophenyl)methyl]-6,9-dihydroxy-5-methoxy-6-phenylpyrrolo[3,4-g]quinolin-8-one;7-[(4-fluorophenyl)methyl]-6-hydroxy-5-methoxy-6-phenyl-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinolin-8-one;7-[(4-fluorophenyl)methyl]-5-methoxy-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinoline-6,8-dione;oxolane;bromide (PubChem CID 157211669) has the molecular formula C97H104BrF3MgN6O13Si2 and a molecular weight of 1779.30 g/mol. Its IUPAC name is magnesium;benzene;7-[(4-fluorophenyl)methyl]-6,9-dihydroxy-5-methoxy-6-phenylpyrrolo[3,4-g]quinolin-8-one;7-[(4-fluorophenyl)methyl]-6-hydroxy-5-methoxy-6-phenyl-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinolin-8-one;7-[(4-fluorophenyl)methyl]-5-methoxy-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinoline-6,8-dione;oxolane;bromide.

Molecular Properties

Compound Namemagnesium;benzene;7-[(4-fluorophenyl)methyl]-6,9-dihydroxy-5-methoxy-6-phenylpyrrolo[3,4-g]quinolin-8-one;7-[(4-fluorophenyl)methyl]-6-hydroxy-5-methoxy-6-phenyl-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinolin-8-one;7-[(4-fluorophenyl)methyl]-5-methoxy-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinoline-6,8-dione;oxolane;bromide
PubChem CID157211669
Molecular FormulaC97H104BrF3MgN6O13Si2
Molecular Weight1779.30 g/mol
Exact Mass1776.62
IUPAC Namemagnesium;benzene;7-[(4-fluorophenyl)methyl]-6,9-dihydroxy-5-methoxy-6-phenylpyrrolo[3,4-g]quinolin-8-one;7-[(4-fluorophenyl)methyl]-6-hydroxy-5-methoxy-6-phenyl-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinolin-8-one;7-[(4-fluorophenyl)methyl]-5-methoxy-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinoline-6,8-dione;oxolane;bromide
SMILESC1CCOC1.COc1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2(O)c1ccccc1.COc1c2c(c(O[Si](C(C)C)(C(C)C)C(C)C)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2(O)c1ccccc1.COc1c2c(c(O[Si](C(C)C)(C(C)C)C(C)C)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2=O.[Br-].[Mg+2].[c-]1ccccc1
InChIInChI=1S/C34H39FN2O4Si.C28H33FN2O4Si.C25H19FN2O4.C6H5.C4H8O.BrH.Mg/c1-21(2)42(22(3)4,23(5)6)41-32-28-29(31(40-7)27-14-11-19-36-30(27)32)34(39,25-12-9-8-10-13-25)37(33(28)38)20-24-15-17-26(35)18-16-24;1-16(2)36(17(3)4,18(5)6)35-26-23-22(25(34-7)21-9-8-14-30-24(21)26)27(32)31(28(23)33)15-19-10-12-20(29)13-11-19;1-32-23-18-8-5-13-27-21(18)22(29)19-20(23)25(31,16-6-3-2-4-7-16)28(24(19)30)14-15-9-11-17(26)12-10-15;1-2-4-6-5-3-1;1-2-4-5-3-1;;/h8-19,21-23,39H,20H2,1-7H3;8-14,16-18H,15H2,1-7H3;2-13,29,31H,14H2,1H3;1-5H;1-4H2;1H;/q;;;-1;;;+2/p-1
InChIKeyCMACJRSJMNDYNA-UHFFFAOYSA-M
XLogP17.36
TPSA232.74 Ų
H-Bond Donors3
H-Bond Acceptors16
Rotatable Bonds21
Heavy Atoms123
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001779.30
LogP ≤ 517.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze magnesium;benzene;7-[(4-fluorophenyl)methyl]-6,9-dihydroxy-5-methoxy-6-phenylpyrrolo[3,4-g]quinolin-8-one;7-[(4-fluorophenyl)methyl]-6-hydroxy-5-methoxy-6-phenyl-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinolin-8-one;7-[(4-fluorophenyl)methyl]-5-methoxy-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinoline-6,8-dione;oxolane;bromide with MolForge

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Related Compounds

7-[(4-fluorophenyl)methyl]-6,9-dihydroxy-5-methoxy-6H-pyrrolo[3,4-g]quinolin-8-one
CID 10383471
7-(4-Fluoro-benzyl)-9-hydroxy-5-methoxy-pyrrolo[3,4-g]quinoline-6,8-dione
CID 10450637
7-[(4-fluorophenyl)methyl]-9-hydroxy-5,6-dimethoxy-6H-pyrrolo[3,4-g]quinolin-8-one
CID 11726510
7-(4-Fluoro-benzyl)-6,9-dihydroxy-5-methoxy-6-phenyl-6,7-dihydro-pyrrolo[3,4-g]quinolin-8-one
CID 10002771
[7-[(4-Fluorophenyl)methyl]-9-hydroxy-6,8-dioxopyrrolo[3,4-g]quinolin-5-yl] morpholine-4-carboxylate
CID 10049478
7-[(4-Fluorophenyl)methyl]-9-hydroxy-5-phenylmethoxypyrrolo[3,4-g]quinoline-6,8-dione
CID 10071231
[7-[(4-Fluorophenyl)methyl]-9-hydroxy-6,8-dioxopyrrolo[3,4-g]quinolin-5-yl] pyrrolidine-1-carboxylate
CID 10071635
[7-[(4-Fluorophenyl)methyl]-9-hydroxy-6,8-dioxopyrrolo[3,4-g]quinolin-5-yl] 4-methylpiperazine-1-carboxylate
CID 10095965
7-[(4-Fluorophenyl)methyl]-9-hydroxy-5-(pyridin-2-ylmethoxy)pyrrolo[3,4-g]quinoline-6,8-dione
CID 10342580
5-[Bis(phenylmethoxy)phosphorylmethoxy]-7-[(4-fluorophenyl)methyl]-9-hydroxypyrrolo[3,4-g]quinoline-6,8-dione
CID 10438740
5-Allyloxy-7-(4-fluoro-benzyl)-9-hydroxy-pyrrolo[3,4-g]quinoline-6,8-dione
CID 10474770
7-[(2,4-Dimethoxyphenyl)methyl]-3-[(4-fluorophenyl)methyl]-9-hydroxy-5-(2-trimethylsilylethoxy)pyrrolo[3,4-g]quinoline-6,8-dione
CID 58000030

Frequently Asked Questions

What is the IUPAC name of magnesium;benzene;7-[(4-fluorophenyl)methyl]-6,9-dihydroxy-5-methoxy-6-phenylpyrrolo[3,4-g]quinolin-8-one;7-[(4-fluorophenyl)methyl]-6-hydroxy-5-methoxy-6-phenyl-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinolin-8-one;7-[(4-fluorophenyl)methyl]-5-methoxy-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinoline-6,8-dione;oxolane;bromide?
The IUPAC name of magnesium;benzene;7-[(4-fluorophenyl)methyl]-6,9-dihydroxy-5-methoxy-6-phenylpyrrolo[3,4-g]quinolin-8-one;7-[(4-fluorophenyl)methyl]-6-hydroxy-5-methoxy-6-phenyl-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinolin-8-one;7-[(4-fluorophenyl)methyl]-5-methoxy-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinoline-6,8-dione;oxolane;bromide (CID 157211669) is magnesium;benzene;7-[(4-fluorophenyl)methyl]-6,9-dihydroxy-5-methoxy-6-phenylpyrrolo[3,4-g]quinolin-8-one;7-[(4-fluorophenyl)methyl]-6-hydroxy-5-methoxy-6-phenyl-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinolin-8-one;7-[(4-fluorophenyl)methyl]-5-methoxy-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinoline-6,8-dione;oxolane;bromide.
What is the SMILES notation for magnesium;benzene;7-[(4-fluorophenyl)methyl]-6,9-dihydroxy-5-methoxy-6-phenylpyrrolo[3,4-g]quinolin-8-one;7-[(4-fluorophenyl)methyl]-6-hydroxy-5-methoxy-6-phenyl-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinolin-8-one;7-[(4-fluorophenyl)methyl]-5-methoxy-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinoline-6,8-dione;oxolane;bromide?
The canonical SMILES for magnesium;benzene;7-[(4-fluorophenyl)methyl]-6,9-dihydroxy-5-methoxy-6-phenylpyrrolo[3,4-g]quinolin-8-one;7-[(4-fluorophenyl)methyl]-6-hydroxy-5-methoxy-6-phenyl-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinolin-8-one;7-[(4-fluorophenyl)methyl]-5-methoxy-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinoline-6,8-dione;oxolane;bromide is C1CCOC1.COc1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2(O)c1ccccc1.COc1c2c(c(O[Si](C(C)C)(C(C)C)C(C)C)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2(O)c1ccccc1.COc1c2c(c(O[Si](C(C)C)(C(C)C)C(C)C)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2=O.[Br-].[Mg+2].[c-]1ccccc1.
What is the InChIKey of magnesium;benzene;7-[(4-fluorophenyl)methyl]-6,9-dihydroxy-5-methoxy-6-phenylpyrrolo[3,4-g]quinolin-8-one;7-[(4-fluorophenyl)methyl]-6-hydroxy-5-methoxy-6-phenyl-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinolin-8-one;7-[(4-fluorophenyl)methyl]-5-methoxy-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinoline-6,8-dione;oxolane;bromide?
The InChIKey is CMACJRSJMNDYNA-UHFFFAOYSA-M. The full InChI is InChI=1S/C34H39FN2O4Si.C28H33FN2O4Si.C25H19FN2O4.C6H5.C4H8O.BrH.Mg/c1-21(2)42(22(3)4,23(5)6)41-32-28-29(31(40-7)27-14-11-19-36-30(27)32)34(39,25-12-9-8-10-13-25)37(33(28)38)20-24-15-17-26(35)18-16-24;1-16(2)36(17(3)4,18(5)6)35-26-23-22(25(34-7)21-9-8-14-30-24(21)26)27(32)31(28(23)33)15-19-10-12-20(29)13-11-19;1-32-23-18-8-5-13-27-21(18)22(29)19-20(23)25(31,16-6-3-2-4-7-16)28(24(19)30)14-15-9-11-17(26)12-10-15;1-2-4-6-5-3-1;1-2-4-5-3-1;;/h8-19,21-23,39H,20H2,1-7H3;8-14,16-18H,15H2,1-7H3;2-13,29,31H,14H2,1H3;1-5H;1-4H2;1H;/q;;;-1;;;+2/p-1.
What are the key properties of magnesium;benzene;7-[(4-fluorophenyl)methyl]-6,9-dihydroxy-5-methoxy-6-phenylpyrrolo[3,4-g]quinolin-8-one;7-[(4-fluorophenyl)methyl]-6-hydroxy-5-methoxy-6-phenyl-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinolin-8-one;7-[(4-fluorophenyl)methyl]-5-methoxy-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinoline-6,8-dione;oxolane;bromide?
magnesium;benzene;7-[(4-fluorophenyl)methyl]-6,9-dihydroxy-5-methoxy-6-phenylpyrrolo[3,4-g]quinolin-8-one;7-[(4-fluorophenyl)methyl]-6-hydroxy-5-methoxy-6-phenyl-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinolin-8-one;7-[(4-fluorophenyl)methyl]-5-methoxy-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinoline-6,8-dione;oxolane;bromide has a molecular weight of 1779.30 g/mol, XLogP of 17.36, 21 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;benzene;7-[(4-fluorophenyl)methyl]-6,9-dihydroxy-5-methoxy-6-phenylpyrrolo[3,4-g]quinolin-8-one;7-[(4-fluorophenyl)methyl]-6-hydroxy-5-methoxy-6-phenyl-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinolin-8-one;7-[(4-fluorophenyl)methyl]-5-methoxy-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinoline-6,8-dione;oxolane;bromide is sourced from PubChem (CID 157211669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).