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

C92H90ClF3N12O14S3Si — CID 158331338

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

9-benzhydryloxy-5-(dimethylsulfamoylamino)-7-[(4-fluorophenyl)methyl]-8-oxo-6H-pyrrolo[3,4-g]quinoline;5-(dimethylsulfamoylamino)-7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinoline;N,N-dimethylsulfamoyl chloride;2-trimethylsilylethyl N-[9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]carbamate (PubChem CID 158331338) has the molecular formula C92H90ClF3N12O14S3Si and a molecular weight of 1804.54 g/mol. Its IUPAC name is 9-benzhydryloxy-5-(dimethylsulfamoylamino)-7-[(4-fluorophenyl)methyl]-8-oxo-6H-pyrrolo[3,4-g]quinoline;5-(dimethylsulfamoylamino)-7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinoline;N,N-dimethylsulfamoyl chloride;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-(dimethylsulfamoylamino)-7-[(4-fluorophenyl)methyl]-8-oxo-6H-pyrrolo[3,4-g]quinoline;5-(dimethylsulfamoylamino)-7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinoline;N,N-dimethylsulfamoyl chloride;2-trimethylsilylethyl N-[9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]carbamate
• PubChem CID: 158331338
• Molecular Formula: C92H90ClF3N12O14S3Si
• Molecular Weight: 1804.54 g/mol
• Exact Mass: 1802.53
• IUPAC Name: 9-benzhydryloxy-5-(dimethylsulfamoylamino)-7-[(4-fluorophenyl)methyl]-8-oxo-6H-pyrrolo[3,4-g]quinoline;5-(dimethylsulfamoylamino)-7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinoline;N,N-dimethylsulfamoyl chloride;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)Cl.CN(C)S(=O)(=O)Nc1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2.CN(C)S(=O)(=O)Nc1c2c(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.C33H29FN4O4S.C20H19FN4O4S.C2H6ClNO2S/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)43(40,41)36-29-26-14-9-19-35-30(26)32(42-31(23-10-5-3-6-11-23)24-12-7-4-8-13-24)28-27(29)21-38(33(28)39)20-22-15-17-25(34)18-16-22;1-24(2)30(28,29)23-17-14-4-3-9-22-18(14)19(26)16-15(17)11-25(20(16)27)10-12-5-7-13(21)8-6-12;1-4(2)7(3,5)6/h4-20,34H,21-24H2,1-3H3,(H,40,43);3-19,31,36H,20-21H2,1-2H3;3-9,23,26H,10-11H2,1-2H3;1-2H3
• InChIKey: GQAWMFBZOINBPX-UHFFFAOYSA-N
• XLogP: 16.99
• TPSA: 312.82 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 17
• Rotatable Bonds: 25
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1804.54
LogP ≤ 5	16.99
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-benzhydryloxy-5-(dimethylsulfamoylamino)-7-[(4-fluorophenyl)methyl]-8-oxo-6H-pyrrolo[3,4-g]quinoline;5-(dimethylsulfamoylamino)-7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinoline;N,N-dimethylsulfamoyl chloride;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-(dimethylsulfamoylamino)-7-[(4-fluorophenyl)methyl]-8-oxo-6H-pyrrolo[3,4-g]quinoline;5-(dimethylsulfamoylamino)-7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinoline;N,N-dimethylsulfamoyl chloride;2-trimethylsilylethyl N-[9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]carbamate (CID 158331338) is 9-benzhydryloxy-5-(dimethylsulfamoylamino)-7-[(4-fluorophenyl)methyl]-8-oxo-6H-pyrrolo[3,4-g]quinoline;5-(dimethylsulfamoylamino)-7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinoline;N,N-dimethylsulfamoyl chloride;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-(dimethylsulfamoylamino)-7-[(4-fluorophenyl)methyl]-8-oxo-6H-pyrrolo[3,4-g]quinoline;5-(dimethylsulfamoylamino)-7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinoline;N,N-dimethylsulfamoyl chloride;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-(dimethylsulfamoylamino)-7-[(4-fluorophenyl)methyl]-8-oxo-6H-pyrrolo[3,4-g]quinoline;5-(dimethylsulfamoylamino)-7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinoline;N,N-dimethylsulfamoyl chloride;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)Cl.CN(C)S(=O)(=O)Nc1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2.CN(C)S(=O)(=O)Nc1c2c(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-(dimethylsulfamoylamino)-7-[(4-fluorophenyl)methyl]-8-oxo-6H-pyrrolo[3,4-g]quinoline;5-(dimethylsulfamoylamino)-7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinoline;N,N-dimethylsulfamoyl chloride;2-trimethylsilylethyl N-[9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]carbamate?

The InChIKey is GQAWMFBZOINBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H36FN3O4Si.C33H29FN4O4S.C20H19FN4O4S.C2H6ClNO2S/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)43(40,41)36-29-26-14-9-19-35-30(26)32(42-31(23-10-5-3-6-11-23)24-12-7-4-8-13-24)28-27(29)21-38(33(28)39)20-22-15-17-25(34)18-16-22;1-24(2)30(28,29)23-17-14-4-3-9-22-18(14)19(26)16-15(17)11-25(20(16)27)10-12-5-7-13(21)8-6-12;1-4(2)7(3,5)6/h4-20,34H,21-24H2,1-3H3,(H,40,43);3-19,31,36H,20-21H2,1-2H3;3-9,23,26H,10-11H2,1-2H3;1-2H3.

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

9-benzhydryloxy-5-(dimethylsulfamoylamino)-7-[(4-fluorophenyl)methyl]-8-oxo-6H-pyrrolo[3,4-g]quinoline;5-(dimethylsulfamoylamino)-7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinoline;N,N-dimethylsulfamoyl chloride;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 1804.54 g/mol, XLogP of 16.99, 25 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 9-benzhydryloxy-5-(dimethylsulfamoylamino)-7-[(4-fluorophenyl)methyl]-8-oxo-6H-pyrrolo[3,4-g]quinoline;5-(dimethylsulfamoylamino)-7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinoline;N,N-dimethylsulfamoyl chloride;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 158331338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).