9-benzhydryloxy-5-[dimethylsulfamoyl(methyl)amino]-7-[(4-fluorophenyl)methyl]-6H-pyrrolo[3,4-g]quinolin-8-one;5-[dimethylsulfamoyl(methyl)amino]-7-[(4-fluorophenyl)methyl]-9-hydroxy-6H-pyrrolo[3,4-g]quinolin-8-one;2-trimethylsilylethyl N-[9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]carbamate

C92H88F3N11O12S2Si — CID 159216831

About 9-benzhydryloxy-5-[dimethylsulfamoyl(methyl)amino]-7-[(4-fluorophenyl)methyl]-6H-pyrrolo[3,4-g]quinolin-8-one;5-[dimethylsulfamoyl(methyl)amino]-7-[(4-fluorophenyl)methyl]-9-hydroxy-6H-pyrrolo[3,4-g]quinolin-8-one;2-trimethylsilylethyl N-[9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]carbamate

9-benzhydryloxy-5-[dimethylsulfamoyl(methyl)amino]-7-[(4-fluorophenyl)methyl]-6H-pyrrolo[3,4-g]quinolin-8-one;5-[dimethylsulfamoyl(methyl)amino]-7-[(4-fluorophenyl)methyl]-9-hydroxy-6H-pyrrolo[3,4-g]quinolin-8-one;2-trimethylsilylethyl N-[9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]carbamate (PubChem CID 159216831) has the molecular formula C92H88F3N11O12S2Si and a molecular weight of 1688.99 g/mol. Its IUPAC name is 9-benzhydryloxy-5-[dimethylsulfamoyl(methyl)amino]-7-[(4-fluorophenyl)methyl]-6H-pyrrolo[3,4-g]quinolin-8-one;5-[dimethylsulfamoyl(methyl)amino]-7-[(4-fluorophenyl)methyl]-9-hydroxy-6H-pyrrolo[3,4-g]quinolin-8-one;2-trimethylsilylethyl N-[9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]carbamate.

Molecular Properties

• Compound Name: 9-benzhydryloxy-5-[dimethylsulfamoyl(methyl)amino]-7-[(4-fluorophenyl)methyl]-6H-pyrrolo[3,4-g]quinolin-8-one;5-[dimethylsulfamoyl(methyl)amino]-7-[(4-fluorophenyl)methyl]-9-hydroxy-6H-pyrrolo[3,4-g]quinolin-8-one;2-trimethylsilylethyl N-[9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]carbamate
• PubChem CID: 159216831
• Molecular Formula: C92H88F3N11O12S2Si
• Molecular Weight: 1688.99 g/mol
• Exact Mass: 1687.58
• IUPAC Name: 9-benzhydryloxy-5-[dimethylsulfamoyl(methyl)amino]-7-[(4-fluorophenyl)methyl]-6H-pyrrolo[3,4-g]quinolin-8-one;5-[dimethylsulfamoyl(methyl)amino]-7-[(4-fluorophenyl)methyl]-9-hydroxy-6H-pyrrolo[3,4-g]quinolin-8-one;2-trimethylsilylethyl N-[9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]carbamate
• SMILES: CN(C)S(=O)(=O)N(C)c1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2.CN(C)S(=O)(=O)N(C)c1c2c(c(OC(c3ccccc3)c3ccccc3)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2.C[Si](C)(C)CCOC(=O)Nc1c2c(c(OC(c3ccccc3)c3ccccc3)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2
• InChI: InChI=1S/C37H36FN3O4Si.C34H31FN4O4S.C21H21FN4O4S/c1-46(2,3)22-21-44-37(43)40-32-29-15-10-20-39-33(29)35(45-34(26-11-6-4-7-12-26)27-13-8-5-9-14-27)31-30(32)24-41(36(31)42)23-25-16-18-28(38)19-17-25;1-37(2)44(41,42)38(3)31-27-15-10-20-36-30(27)33(43-32(24-11-6-4-7-12-24)25-13-8-5-9-14-25)29-28(31)22-39(34(29)40)21-23-16-18-26(35)19-17-23;1-24(2)31(29,30)25(3)19-15-5-4-10-23-18(15)20(27)17-16(19)12-26(21(17)28)11-13-6-8-14(22)9-7-13/h4-20,34H,21-24H2,1-3H3,(H,40,43);4-20,32H,21-22H2,1-3H3;4-10,27H,11-12H2,1-3H3
• InChIKey: KREJFMYHXNOZQF-UHFFFAOYSA-N
• XLogP: 17.00
• TPSA: 257.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 15
• Rotatable Bonds: 24
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1688.99
LogP ≤ 5	17.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-benzhydryloxy-5-[dimethylsulfamoyl(methyl)amino]-7-[(4-fluorophenyl)methyl]-6H-pyrrolo[3,4-g]quinolin-8-one;5-[dimethylsulfamoyl(methyl)amino]-7-[(4-fluorophenyl)methyl]-9-hydroxy-6H-pyrrolo[3,4-g]quinolin-8-one;2-trimethylsilylethyl N-[9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]carbamate?

The IUPAC name of 9-benzhydryloxy-5-[dimethylsulfamoyl(methyl)amino]-7-[(4-fluorophenyl)methyl]-6H-pyrrolo[3,4-g]quinolin-8-one;5-[dimethylsulfamoyl(methyl)amino]-7-[(4-fluorophenyl)methyl]-9-hydroxy-6H-pyrrolo[3,4-g]quinolin-8-one;2-trimethylsilylethyl N-[9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]carbamate (CID 159216831) is 9-benzhydryloxy-5-[dimethylsulfamoyl(methyl)amino]-7-[(4-fluorophenyl)methyl]-6H-pyrrolo[3,4-g]quinolin-8-one;5-[dimethylsulfamoyl(methyl)amino]-7-[(4-fluorophenyl)methyl]-9-hydroxy-6H-pyrrolo[3,4-g]quinolin-8-one;2-trimethylsilylethyl N-[9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]carbamate.

What is the SMILES notation for 9-benzhydryloxy-5-[dimethylsulfamoyl(methyl)amino]-7-[(4-fluorophenyl)methyl]-6H-pyrrolo[3,4-g]quinolin-8-one;5-[dimethylsulfamoyl(methyl)amino]-7-[(4-fluorophenyl)methyl]-9-hydroxy-6H-pyrrolo[3,4-g]quinolin-8-one;2-trimethylsilylethyl N-[9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]carbamate?

The canonical SMILES for 9-benzhydryloxy-5-[dimethylsulfamoyl(methyl)amino]-7-[(4-fluorophenyl)methyl]-6H-pyrrolo[3,4-g]quinolin-8-one;5-[dimethylsulfamoyl(methyl)amino]-7-[(4-fluorophenyl)methyl]-9-hydroxy-6H-pyrrolo[3,4-g]quinolin-8-one;2-trimethylsilylethyl N-[9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]carbamate is CN(C)S(=O)(=O)N(C)c1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2.CN(C)S(=O)(=O)N(C)c1c2c(c(OC(c3ccccc3)c3ccccc3)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2.C[Si](C)(C)CCOC(=O)Nc1c2c(c(OC(c3ccccc3)c3ccccc3)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2.

What is the InChIKey of 9-benzhydryloxy-5-[dimethylsulfamoyl(methyl)amino]-7-[(4-fluorophenyl)methyl]-6H-pyrrolo[3,4-g]quinolin-8-one;5-[dimethylsulfamoyl(methyl)amino]-7-[(4-fluorophenyl)methyl]-9-hydroxy-6H-pyrrolo[3,4-g]quinolin-8-one;2-trimethylsilylethyl N-[9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]carbamate?

The InChIKey is KREJFMYHXNOZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H36FN3O4Si.C34H31FN4O4S.C21H21FN4O4S/c1-46(2,3)22-21-44-37(43)40-32-29-15-10-20-39-33(29)35(45-34(26-11-6-4-7-12-26)27-13-8-5-9-14-27)31-30(32)24-41(36(31)42)23-25-16-18-28(38)19-17-25;1-37(2)44(41,42)38(3)31-27-15-10-20-36-30(27)33(43-32(24-11-6-4-7-12-24)25-13-8-5-9-14-25)29-28(31)22-39(34(29)40)21-23-16-18-26(35)19-17-23;1-24(2)31(29,30)25(3)19-15-5-4-10-23-18(15)20(27)17-16(19)12-26(21(17)28)11-13-6-8-14(22)9-7-13/h4-20,34H,21-24H2,1-3H3,(H,40,43);4-20,32H,21-22H2,1-3H3;4-10,27H,11-12H2,1-3H3.

What are the key properties of 9-benzhydryloxy-5-[dimethylsulfamoyl(methyl)amino]-7-[(4-fluorophenyl)methyl]-6H-pyrrolo[3,4-g]quinolin-8-one;5-[dimethylsulfamoyl(methyl)amino]-7-[(4-fluorophenyl)methyl]-9-hydroxy-6H-pyrrolo[3,4-g]quinolin-8-one;2-trimethylsilylethyl N-[9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]carbamate?

9-benzhydryloxy-5-[dimethylsulfamoyl(methyl)amino]-7-[(4-fluorophenyl)methyl]-6H-pyrrolo[3,4-g]quinolin-8-one;5-[dimethylsulfamoyl(methyl)amino]-7-[(4-fluorophenyl)methyl]-9-hydroxy-6H-pyrrolo[3,4-g]quinolin-8-one;2-trimethylsilylethyl N-[9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]carbamate has a molecular weight of 1688.99 g/mol, XLogP of 17.00, 24 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 9-benzhydryloxy-5-[dimethylsulfamoyl(methyl)amino]-7-[(4-fluorophenyl)methyl]-6H-pyrrolo[3,4-g]quinolin-8-one;5-[dimethylsulfamoyl(methyl)amino]-7-[(4-fluorophenyl)methyl]-9-hydroxy-6H-pyrrolo[3,4-g]quinolin-8-one;2-trimethylsilylethyl N-[9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]carbamate is sourced from PubChem (CID 159216831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).