magnesium;carbanide;7-[(4-fluorophenyl)methyl]-6-hydroxy-5-methoxy-6,9-dimethylpyrrolo[3,4-g]quinolin-8-one;7-[(4-fluorophenyl)methyl]-8-hydroxy-5-methoxy-6-methylidenepyrrolo[3,4-g]quinolin-9-one;7-[(4-fluorophenyl)methyl]-9-hydroxy-5-methoxy-6-methyl-6H-pyrrolo[3,4-g]quinolin-8-one;7-[(4-fluorophenyl)methyl]-5-methoxy-9-methylpyrrolo[3,4-g]quinoline-6,8-dione;oxolane;bromide

C86H77BrF4MgN8O13 — CID 158536598

IUPACmagnesium;carbanide;7-[(4-fluorophenyl)methyl]-6-hydroxy-5-methoxy-6,9-dimethylpyrrolo[3,4-g]quinolin-8-one;7-[(4-fluorophenyl)methyl]-8-hydroxy-5-methoxy-6-methylidenepyrrolo[3,4-g]quinolin-9-one;7-[(4-fluorophenyl)methyl]-9-hydroxy-5-methoxy-6-methyl-6H-pyrrolo[3,4-g]quinolin-8-one;7-[(4-fluorophenyl)methyl]-5-methoxy-9-methylpyrrolo[3,4-g]quinoline-6,8-dione;oxolane;bromide
SMILESC1CCOC1.C=c1c2c(c(O)n1Cc1ccc(F)cc1)C(=O)c1ncccc1C=2OC.COc1c2c(c(C)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2(C)O.COc1c2c(c(C)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2=O.COc1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2C.[Br-].[CH3-].[Mg+2]
InChIInChI=1S/C21H19FN2O3.C20H17FN2O3.2C20H15FN2O3.C4H8O.CH3.BrH.Mg/c1-12-16-17(19(27-3)15-5-4-10-23-18(12)15)21(2,26)24(20(16)25)11-13-6-8-14(22)9-7-13;2*1-11-15-16(18(24)17-14(19(15)26-2)4-3-9-22-17)20(25)23(11)10-12-5-7-13(21)8-6-12;1-11-15-16(18(26-2)14-4-3-9-22-17(11)14)20(25)23(19(15)24)10-12-5-7-13(21)8-6-12;1-2-4-5-3-1;;;/h4-10,26H,11H2,1-3H3;3-9,11,24H,10H2,1-2H3;3-9,25H,1,10H2,2H3;3-9H,10H2,1-2H3;1-4H2;1H3;1H;/q;;;;;-1;;+2/p-1
InChIKeyCQRNEVPRLLCKTK-UHFFFAOYSA-M
MW1610.81 g/mol
LogP10.21
Rot. Bonds12

About magnesium;carbanide;7-[(4-fluorophenyl)methyl]-6-hydroxy-5-methoxy-6,9-dimethylpyrrolo[3,4-g]quinolin-8-one;7-[(4-fluorophenyl)methyl]-8-hydroxy-5-methoxy-6-methylidenepyrrolo[3,4-g]quinolin-9-one;7-[(4-fluorophenyl)methyl]-9-hydroxy-5-methoxy-6-methyl-6H-pyrrolo[3,4-g]quinolin-8-one;7-[(4-fluorophenyl)methyl]-5-methoxy-9-methylpyrrolo[3,4-g]quinoline-6,8-dione;oxolane;bromide

magnesium;carbanide;7-[(4-fluorophenyl)methyl]-6-hydroxy-5-methoxy-6,9-dimethylpyrrolo[3,4-g]quinolin-8-one;7-[(4-fluorophenyl)methyl]-8-hydroxy-5-methoxy-6-methylidenepyrrolo[3,4-g]quinolin-9-one;7-[(4-fluorophenyl)methyl]-9-hydroxy-5-methoxy-6-methyl-6H-pyrrolo[3,4-g]quinolin-8-one;7-[(4-fluorophenyl)methyl]-5-methoxy-9-methylpyrrolo[3,4-g]quinoline-6,8-dione;oxolane;bromide (PubChem CID 158536598) has the molecular formula C86H77BrF4MgN8O13 and a molecular weight of 1610.81 g/mol. Its IUPAC name is magnesium;carbanide;7-[(4-fluorophenyl)methyl]-6-hydroxy-5-methoxy-6,9-dimethylpyrrolo[3,4-g]quinolin-8-one;7-[(4-fluorophenyl)methyl]-8-hydroxy-5-methoxy-6-methylidenepyrrolo[3,4-g]quinolin-9-one;7-[(4-fluorophenyl)methyl]-9-hydroxy-5-methoxy-6-methyl-6H-pyrrolo[3,4-g]quinolin-8-one;7-[(4-fluorophenyl)methyl]-5-methoxy-9-methylpyrrolo[3,4-g]quinoline-6,8-dione;oxolane;bromide.

Molecular Properties

Compound Namemagnesium;carbanide;7-[(4-fluorophenyl)methyl]-6-hydroxy-5-methoxy-6,9-dimethylpyrrolo[3,4-g]quinolin-8-one;7-[(4-fluorophenyl)methyl]-8-hydroxy-5-methoxy-6-methylidenepyrrolo[3,4-g]quinolin-9-one;7-[(4-fluorophenyl)methyl]-9-hydroxy-5-methoxy-6-methyl-6H-pyrrolo[3,4-g]quinolin-8-one;7-[(4-fluorophenyl)methyl]-5-methoxy-9-methylpyrrolo[3,4-g]quinoline-6,8-dione;oxolane;bromide
PubChem CID158536598
Molecular FormulaC86H77BrF4MgN8O13
Molecular Weight1610.81 g/mol
Exact Mass1608.46
IUPAC Namemagnesium;carbanide;7-[(4-fluorophenyl)methyl]-6-hydroxy-5-methoxy-6,9-dimethylpyrrolo[3,4-g]quinolin-8-one;7-[(4-fluorophenyl)methyl]-8-hydroxy-5-methoxy-6-methylidenepyrrolo[3,4-g]quinolin-9-one;7-[(4-fluorophenyl)methyl]-9-hydroxy-5-methoxy-6-methyl-6H-pyrrolo[3,4-g]quinolin-8-one;7-[(4-fluorophenyl)methyl]-5-methoxy-9-methylpyrrolo[3,4-g]quinoline-6,8-dione;oxolane;bromide
SMILESC1CCOC1.C=c1c2c(c(O)n1Cc1ccc(F)cc1)C(=O)c1ncccc1C=2OC.COc1c2c(c(C)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2(C)O.COc1c2c(c(C)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2=O.COc1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2C.[Br-].[CH3-].[Mg+2]
InChIInChI=1S/C21H19FN2O3.C20H17FN2O3.2C20H15FN2O3.C4H8O.CH3.BrH.Mg/c1-12-16-17(19(27-3)15-5-4-10-23-18(12)15)21(2,26)24(20(16)25)11-13-6-8-14(22)9-7-13;2*1-11-15-16(18(24)17-14(19(15)26-2)4-3-9-22-17)20(25)23(11)10-12-5-7-13(21)8-6-12;1-11-15-16(18(26-2)14-4-3-9-22-17(11)14)20(25)23(19(15)24)10-12-5-7-13(21)8-6-12;1-2-4-5-3-1;;;/h4-10,26H,11H2,1-3H3;3-9,11,24H,10H2,1-2H3;3-9,25H,1,10H2,2H3;3-9H,10H2,1-2H3;1-4H2;1H3;1H;/q;;;;;-1;;+2/p-1
InChIKeyCQRNEVPRLLCKTK-UHFFFAOYSA-M
XLogP10.21
TPSA258.40 Ų
H-Bond Donors3
H-Bond Acceptors18
Rotatable Bonds12
Heavy Atoms113
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001610.81
LogP ≤ 510.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze magnesium;carbanide;7-[(4-fluorophenyl)methyl]-6-hydroxy-5-methoxy-6,9-dimethylpyrrolo[3,4-g]quinolin-8-one;7-[(4-fluorophenyl)methyl]-8-hydroxy-5-methoxy-6-methylidenepyrrolo[3,4-g]quinolin-9-one;7-[(4-fluorophenyl)methyl]-9-hydroxy-5-methoxy-6-methyl-6H-pyrrolo[3,4-g]quinolin-8-one;7-[(4-fluorophenyl)methyl]-5-methoxy-9-methylpyrrolo[3,4-g]quinoline-6,8-dione;oxolane;bromide with MolForge

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Frequently Asked Questions

What is the IUPAC name of magnesium;carbanide;7-[(4-fluorophenyl)methyl]-6-hydroxy-5-methoxy-6,9-dimethylpyrrolo[3,4-g]quinolin-8-one;7-[(4-fluorophenyl)methyl]-8-hydroxy-5-methoxy-6-methylidenepyrrolo[3,4-g]quinolin-9-one;7-[(4-fluorophenyl)methyl]-9-hydroxy-5-methoxy-6-methyl-6H-pyrrolo[3,4-g]quinolin-8-one;7-[(4-fluorophenyl)methyl]-5-methoxy-9-methylpyrrolo[3,4-g]quinoline-6,8-dione;oxolane;bromide?
The IUPAC name of magnesium;carbanide;7-[(4-fluorophenyl)methyl]-6-hydroxy-5-methoxy-6,9-dimethylpyrrolo[3,4-g]quinolin-8-one;7-[(4-fluorophenyl)methyl]-8-hydroxy-5-methoxy-6-methylidenepyrrolo[3,4-g]quinolin-9-one;7-[(4-fluorophenyl)methyl]-9-hydroxy-5-methoxy-6-methyl-6H-pyrrolo[3,4-g]quinolin-8-one;7-[(4-fluorophenyl)methyl]-5-methoxy-9-methylpyrrolo[3,4-g]quinoline-6,8-dione;oxolane;bromide (CID 158536598) is magnesium;carbanide;7-[(4-fluorophenyl)methyl]-6-hydroxy-5-methoxy-6,9-dimethylpyrrolo[3,4-g]quinolin-8-one;7-[(4-fluorophenyl)methyl]-8-hydroxy-5-methoxy-6-methylidenepyrrolo[3,4-g]quinolin-9-one;7-[(4-fluorophenyl)methyl]-9-hydroxy-5-methoxy-6-methyl-6H-pyrrolo[3,4-g]quinolin-8-one;7-[(4-fluorophenyl)methyl]-5-methoxy-9-methylpyrrolo[3,4-g]quinoline-6,8-dione;oxolane;bromide.
What is the SMILES notation for magnesium;carbanide;7-[(4-fluorophenyl)methyl]-6-hydroxy-5-methoxy-6,9-dimethylpyrrolo[3,4-g]quinolin-8-one;7-[(4-fluorophenyl)methyl]-8-hydroxy-5-methoxy-6-methylidenepyrrolo[3,4-g]quinolin-9-one;7-[(4-fluorophenyl)methyl]-9-hydroxy-5-methoxy-6-methyl-6H-pyrrolo[3,4-g]quinolin-8-one;7-[(4-fluorophenyl)methyl]-5-methoxy-9-methylpyrrolo[3,4-g]quinoline-6,8-dione;oxolane;bromide?
The canonical SMILES for magnesium;carbanide;7-[(4-fluorophenyl)methyl]-6-hydroxy-5-methoxy-6,9-dimethylpyrrolo[3,4-g]quinolin-8-one;7-[(4-fluorophenyl)methyl]-8-hydroxy-5-methoxy-6-methylidenepyrrolo[3,4-g]quinolin-9-one;7-[(4-fluorophenyl)methyl]-9-hydroxy-5-methoxy-6-methyl-6H-pyrrolo[3,4-g]quinolin-8-one;7-[(4-fluorophenyl)methyl]-5-methoxy-9-methylpyrrolo[3,4-g]quinoline-6,8-dione;oxolane;bromide is C1CCOC1.C=c1c2c(c(O)n1Cc1ccc(F)cc1)C(=O)c1ncccc1C=2OC.COc1c2c(c(C)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2(C)O.COc1c2c(c(C)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2=O.COc1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2C.[Br-].[CH3-].[Mg+2].
What is the InChIKey of magnesium;carbanide;7-[(4-fluorophenyl)methyl]-6-hydroxy-5-methoxy-6,9-dimethylpyrrolo[3,4-g]quinolin-8-one;7-[(4-fluorophenyl)methyl]-8-hydroxy-5-methoxy-6-methylidenepyrrolo[3,4-g]quinolin-9-one;7-[(4-fluorophenyl)methyl]-9-hydroxy-5-methoxy-6-methyl-6H-pyrrolo[3,4-g]quinolin-8-one;7-[(4-fluorophenyl)methyl]-5-methoxy-9-methylpyrrolo[3,4-g]quinoline-6,8-dione;oxolane;bromide?
The InChIKey is CQRNEVPRLLCKTK-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H19FN2O3.C20H17FN2O3.2C20H15FN2O3.C4H8O.CH3.BrH.Mg/c1-12-16-17(19(27-3)15-5-4-10-23-18(12)15)21(2,26)24(20(16)25)11-13-6-8-14(22)9-7-13;2*1-11-15-16(18(24)17-14(19(15)26-2)4-3-9-22-17)20(25)23(11)10-12-5-7-13(21)8-6-12;1-11-15-16(18(26-2)14-4-3-9-22-17(11)14)20(25)23(19(15)24)10-12-5-7-13(21)8-6-12;1-2-4-5-3-1;;;/h4-10,26H,11H2,1-3H3;3-9,11,24H,10H2,1-2H3;3-9,25H,1,10H2,2H3;3-9H,10H2,1-2H3;1-4H2;1H3;1H;/q;;;;;-1;;+2/p-1.
What are the key properties of magnesium;carbanide;7-[(4-fluorophenyl)methyl]-6-hydroxy-5-methoxy-6,9-dimethylpyrrolo[3,4-g]quinolin-8-one;7-[(4-fluorophenyl)methyl]-8-hydroxy-5-methoxy-6-methylidenepyrrolo[3,4-g]quinolin-9-one;7-[(4-fluorophenyl)methyl]-9-hydroxy-5-methoxy-6-methyl-6H-pyrrolo[3,4-g]quinolin-8-one;7-[(4-fluorophenyl)methyl]-5-methoxy-9-methylpyrrolo[3,4-g]quinoline-6,8-dione;oxolane;bromide?
magnesium;carbanide;7-[(4-fluorophenyl)methyl]-6-hydroxy-5-methoxy-6,9-dimethylpyrrolo[3,4-g]quinolin-8-one;7-[(4-fluorophenyl)methyl]-8-hydroxy-5-methoxy-6-methylidenepyrrolo[3,4-g]quinolin-9-one;7-[(4-fluorophenyl)methyl]-9-hydroxy-5-methoxy-6-methyl-6H-pyrrolo[3,4-g]quinolin-8-one;7-[(4-fluorophenyl)methyl]-5-methoxy-9-methylpyrrolo[3,4-g]quinoline-6,8-dione;oxolane;bromide has a molecular weight of 1610.81 g/mol, XLogP of 10.21, 12 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;carbanide;7-[(4-fluorophenyl)methyl]-6-hydroxy-5-methoxy-6,9-dimethylpyrrolo[3,4-g]quinolin-8-one;7-[(4-fluorophenyl)methyl]-8-hydroxy-5-methoxy-6-methylidenepyrrolo[3,4-g]quinolin-9-one;7-[(4-fluorophenyl)methyl]-9-hydroxy-5-methoxy-6-methyl-6H-pyrrolo[3,4-g]quinolin-8-one;7-[(4-fluorophenyl)methyl]-5-methoxy-9-methylpyrrolo[3,4-g]quinoline-6,8-dione;oxolane;bromide is sourced from PubChem (CID 158536598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).