2-aminoethanesulfonamide;2-[3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]-N-(2-sulfamoylethyl)acetamide;2-[3-[(4-fluorophenyl)methyl]-7-methyl-8-oxo-9-tri(propan-2-yl)silyloxy-6H-pyrrolo[3,4-g]quinolin-5-yl]acetic acid

C55H68F2N8O11S2Si — CID 157084623

About 2-aminoethanesulfonamide;2-[3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]-N-(2-sulfamoylethyl)acetamide;2-[3-[(4-fluorophenyl)methyl]-7-methyl-8-oxo-9-tri(propan-2-yl)silyloxy-6H-pyrrolo[3,4-g]quinolin-5-yl]acetic acid

2-aminoethanesulfonamide;2-[3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]-N-(2-sulfamoylethyl)acetamide;2-[3-[(4-fluorophenyl)methyl]-7-methyl-8-oxo-9-tri(propan-2-yl)silyloxy-6H-pyrrolo[3,4-g]quinolin-5-yl]acetic acid (PubChem CID 157084623) has the molecular formula C55H68F2N8O11S2Si and a molecular weight of 1147.41 g/mol. Its IUPAC name is 2-aminoethanesulfonamide;2-[3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]-N-(2-sulfamoylethyl)acetamide;2-[3-[(4-fluorophenyl)methyl]-7-methyl-8-oxo-9-tri(propan-2-yl)silyloxy-6H-pyrrolo[3,4-g]quinolin-5-yl]acetic acid.

Molecular Properties

• Compound Name: 2-aminoethanesulfonamide;2-[3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]-N-(2-sulfamoylethyl)acetamide;2-[3-[(4-fluorophenyl)methyl]-7-methyl-8-oxo-9-tri(propan-2-yl)silyloxy-6H-pyrrolo[3,4-g]quinolin-5-yl]acetic acid
• PubChem CID: 157084623
• Molecular Formula: C55H68F2N8O11S2Si
• Molecular Weight: 1147.41 g/mol
• Exact Mass: 1146.42
• IUPAC Name: 2-aminoethanesulfonamide;2-[3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]-N-(2-sulfamoylethyl)acetamide;2-[3-[(4-fluorophenyl)methyl]-7-methyl-8-oxo-9-tri(propan-2-yl)silyloxy-6H-pyrrolo[3,4-g]quinolin-5-yl]acetic acid
• SMILES: CC(C)[Si](Oc1c2c(c(CC(=O)O)c3cc(Cc4ccc(F)cc4)cnc13)CN(C)C2=O)(C(C)C)C(C)C.CN1Cc2c(c(O)c3ncc(Cc4ccc(F)cc4)cc3c2CC(=O)NCCS(N)(=O)=O)C1=O.NCCS(N)(=O)=O
• InChI: InChI=1S/C30H37FN2O4Si.C23H23FN4O5S.C2H8N2O2S/c1-17(2)38(18(3)4,19(5)6)37-29-27-25(16-33(7)30(27)36)23(14-26(34)35)24-13-21(15-32-28(24)29)12-20-8-10-22(31)11-9-20;1-28-12-18-16(10-19(29)26-6-7-34(25,32)33)17-9-14(8-13-2-4-15(24)5-3-13)11-27-21(17)22(30)20(18)23(28)31;3-1-2-7(4,5)6/h8-11,13,15,17-19H,12,14,16H2,1-7H3,(H,34,35);2-5,9,11,30H,6-8,10,12H2,1H3,(H,26,29)(H2,25,32,33);1-3H2,(H2,4,5,6)
• InChIKey: ADYINERZBSYASG-UHFFFAOYSA-N
• XLogP: 6.17
• TPSA: 308.60 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 13
• Rotatable Bonds: 18
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1147.41
LogP ≤ 5	6.17
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-aminoethanesulfonamide;2-[3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]-N-(2-sulfamoylethyl)acetamide;2-[3-[(4-fluorophenyl)methyl]-7-methyl-8-oxo-9-tri(propan-2-yl)silyloxy-6H-pyrrolo[3,4-g]quinolin-5-yl]acetic acid?

The IUPAC name of 2-aminoethanesulfonamide;2-[3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]-N-(2-sulfamoylethyl)acetamide;2-[3-[(4-fluorophenyl)methyl]-7-methyl-8-oxo-9-tri(propan-2-yl)silyloxy-6H-pyrrolo[3,4-g]quinolin-5-yl]acetic acid (CID 157084623) is 2-aminoethanesulfonamide;2-[3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]-N-(2-sulfamoylethyl)acetamide;2-[3-[(4-fluorophenyl)methyl]-7-methyl-8-oxo-9-tri(propan-2-yl)silyloxy-6H-pyrrolo[3,4-g]quinolin-5-yl]acetic acid.

What is the SMILES notation for 2-aminoethanesulfonamide;2-[3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]-N-(2-sulfamoylethyl)acetamide;2-[3-[(4-fluorophenyl)methyl]-7-methyl-8-oxo-9-tri(propan-2-yl)silyloxy-6H-pyrrolo[3,4-g]quinolin-5-yl]acetic acid?

The canonical SMILES for 2-aminoethanesulfonamide;2-[3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]-N-(2-sulfamoylethyl)acetamide;2-[3-[(4-fluorophenyl)methyl]-7-methyl-8-oxo-9-tri(propan-2-yl)silyloxy-6H-pyrrolo[3,4-g]quinolin-5-yl]acetic acid is CC(C)[Si](Oc1c2c(c(CC(=O)O)c3cc(Cc4ccc(F)cc4)cnc13)CN(C)C2=O)(C(C)C)C(C)C.CN1Cc2c(c(O)c3ncc(Cc4ccc(F)cc4)cc3c2CC(=O)NCCS(N)(=O)=O)C1=O.NCCS(N)(=O)=O.

What is the InChIKey of 2-aminoethanesulfonamide;2-[3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]-N-(2-sulfamoylethyl)acetamide;2-[3-[(4-fluorophenyl)methyl]-7-methyl-8-oxo-9-tri(propan-2-yl)silyloxy-6H-pyrrolo[3,4-g]quinolin-5-yl]acetic acid?

The InChIKey is ADYINERZBSYASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37FN2O4Si.C23H23FN4O5S.C2H8N2O2S/c1-17(2)38(18(3)4,19(5)6)37-29-27-25(16-33(7)30(27)36)23(14-26(34)35)24-13-21(15-32-28(24)29)12-20-8-10-22(31)11-9-20;1-28-12-18-16(10-19(29)26-6-7-34(25,32)33)17-9-14(8-13-2-4-15(24)5-3-13)11-27-21(17)22(30)20(18)23(28)31;3-1-2-7(4,5)6/h8-11,13,15,17-19H,12,14,16H2,1-7H3,(H,34,35);2-5,9,11,30H,6-8,10,12H2,1H3,(H,26,29)(H2,25,32,33);1-3H2,(H2,4,5,6).

What are the key properties of 2-aminoethanesulfonamide;2-[3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]-N-(2-sulfamoylethyl)acetamide;2-[3-[(4-fluorophenyl)methyl]-7-methyl-8-oxo-9-tri(propan-2-yl)silyloxy-6H-pyrrolo[3,4-g]quinolin-5-yl]acetic acid?

2-aminoethanesulfonamide;2-[3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]-N-(2-sulfamoylethyl)acetamide;2-[3-[(4-fluorophenyl)methyl]-7-methyl-8-oxo-9-tri(propan-2-yl)silyloxy-6H-pyrrolo[3,4-g]quinolin-5-yl]acetic acid has a molecular weight of 1147.41 g/mol, XLogP of 6.17, 18 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-aminoethanesulfonamide;2-[3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]-N-(2-sulfamoylethyl)acetamide;2-[3-[(4-fluorophenyl)methyl]-7-methyl-8-oxo-9-tri(propan-2-yl)silyloxy-6H-pyrrolo[3,4-g]quinolin-5-yl]acetic acid is sourced from PubChem (CID 157084623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).