5-[dimethylsulfamoyl(methyl)amino]-3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-6H-pyrrolo[3,4-g]quinolin-8-one;5-[dimethylsulfamoyl(methyl)amino]-3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-6H-pyrrolo[3,4-g]quinolin-8-one;3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-5-[methyl(methylsulfamoyl)amino]-8-oxo-6H-pyrrolo[3,4-g]quinoline

C81H83F3N12O14S3 — CID 157269890

About 5-[dimethylsulfamoyl(methyl)amino]-3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-6H-pyrrolo[3,4-g]quinolin-8-one;5-[dimethylsulfamoyl(methyl)amino]-3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-6H-pyrrolo[3,4-g]quinolin-8-one;3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-5-[methyl(methylsulfamoyl)amino]-8-oxo-6H-pyrrolo[3,4-g]quinoline

5-[dimethylsulfamoyl(methyl)amino]-3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-6H-pyrrolo[3,4-g]quinolin-8-one;5-[dimethylsulfamoyl(methyl)amino]-3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-6H-pyrrolo[3,4-g]quinolin-8-one;3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-5-[methyl(methylsulfamoyl)amino]-8-oxo-6H-pyrrolo[3,4-g]quinoline (PubChem CID 157269890) has the molecular formula C81H83F3N12O14S3 and a molecular weight of 1601.82 g/mol. Its IUPAC name is 5-[dimethylsulfamoyl(methyl)amino]-3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-6H-pyrrolo[3,4-g]quinolin-8-one;5-[dimethylsulfamoyl(methyl)amino]-3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-6H-pyrrolo[3,4-g]quinolin-8-one;3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-5-[methyl(methylsulfamoyl)amino]-8-oxo-6H-pyrrolo[3,4-g]quinoline.

Molecular Properties

• Compound Name: 5-[dimethylsulfamoyl(methyl)amino]-3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-6H-pyrrolo[3,4-g]quinolin-8-one;5-[dimethylsulfamoyl(methyl)amino]-3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-6H-pyrrolo[3,4-g]quinolin-8-one;3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-5-[methyl(methylsulfamoyl)amino]-8-oxo-6H-pyrrolo[3,4-g]quinoline
• PubChem CID: 157269890
• Molecular Formula: C81H83F3N12O14S3
• Molecular Weight: 1601.82 g/mol
• Exact Mass: 1600.53
• IUPAC Name: 5-[dimethylsulfamoyl(methyl)amino]-3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-6H-pyrrolo[3,4-g]quinolin-8-one;5-[dimethylsulfamoyl(methyl)amino]-3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-6H-pyrrolo[3,4-g]quinolin-8-one;3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-5-[methyl(methylsulfamoyl)amino]-8-oxo-6H-pyrrolo[3,4-g]quinoline
• SMILES: CN1Cc2c(c(O)c3ncc(Cc4ccc(F)cc4)cc3c2N(C)S(=O)(=O)N(C)C)C1=O.CNS(=O)(=O)N(C)c1c2c(c(OCc3ccc(OC)cc3)c3ncc(Cc4ccc(F)cc4)cc13)C(=O)N(C)C2.COc1ccc(COc2c3c(c(N(C)S(=O)(=O)N(C)C)c4cc(Cc5ccc(F)cc5)cnc24)CN(C)C3=O)cc1
• InChI: InChI=1S/C30H31FN4O5S.C29H29FN4O5S.C22H23FN4O4S/c1-33(2)41(37,38)35(4)28-24-15-21(14-19-6-10-22(31)11-7-19)16-32-27(24)29(26-25(28)17-34(3)30(26)36)40-18-20-8-12-23(39-5)13-9-20;1-31-40(36,37)34(3)27-23-14-20(13-18-5-9-21(30)10-6-18)15-32-26(23)28(25-24(27)16-33(2)29(25)35)39-17-19-7-11-22(38-4)12-8-19;1-25(2)32(30,31)27(4)20-16-10-14(9-13-5-7-15(23)8-6-13)11-24-19(16)21(28)18-17(20)12-26(3)22(18)29/h6-13,15-16H,14,17-18H2,1-5H3;5-12,14-15,31H,13,16-17H2,1-4H3;5-8,10-11,28H,9,12H2,1-4H3
• InChIKey: AYKKDNMNFRSDSG-UHFFFAOYSA-N
• XLogP: 10.92
• TPSA: 287.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 17
• Rotatable Bonds: 23
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1601.82
LogP ≤ 5	10.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 5-[dimethylsulfamoyl(methyl)amino]-3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-6H-pyrrolo[3,4-g]quinolin-8-one;5-[dimethylsulfamoyl(methyl)amino]-3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-6H-pyrrolo[3,4-g]quinolin-8-one;3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-5-[methyl(methylsulfamoyl)amino]-8-oxo-6H-pyrrolo[3,4-g]quinoline?

The IUPAC name of 5-[dimethylsulfamoyl(methyl)amino]-3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-6H-pyrrolo[3,4-g]quinolin-8-one;5-[dimethylsulfamoyl(methyl)amino]-3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-6H-pyrrolo[3,4-g]quinolin-8-one;3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-5-[methyl(methylsulfamoyl)amino]-8-oxo-6H-pyrrolo[3,4-g]quinoline (CID 157269890) is 5-[dimethylsulfamoyl(methyl)amino]-3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-6H-pyrrolo[3,4-g]quinolin-8-one;5-[dimethylsulfamoyl(methyl)amino]-3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-6H-pyrrolo[3,4-g]quinolin-8-one;3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-5-[methyl(methylsulfamoyl)amino]-8-oxo-6H-pyrrolo[3,4-g]quinoline.

What is the SMILES notation for 5-[dimethylsulfamoyl(methyl)amino]-3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-6H-pyrrolo[3,4-g]quinolin-8-one;5-[dimethylsulfamoyl(methyl)amino]-3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-6H-pyrrolo[3,4-g]quinolin-8-one;3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-5-[methyl(methylsulfamoyl)amino]-8-oxo-6H-pyrrolo[3,4-g]quinoline?

The canonical SMILES for 5-[dimethylsulfamoyl(methyl)amino]-3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-6H-pyrrolo[3,4-g]quinolin-8-one;5-[dimethylsulfamoyl(methyl)amino]-3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-6H-pyrrolo[3,4-g]quinolin-8-one;3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-5-[methyl(methylsulfamoyl)amino]-8-oxo-6H-pyrrolo[3,4-g]quinoline is CN1Cc2c(c(O)c3ncc(Cc4ccc(F)cc4)cc3c2N(C)S(=O)(=O)N(C)C)C1=O.CNS(=O)(=O)N(C)c1c2c(c(OCc3ccc(OC)cc3)c3ncc(Cc4ccc(F)cc4)cc13)C(=O)N(C)C2.COc1ccc(COc2c3c(c(N(C)S(=O)(=O)N(C)C)c4cc(Cc5ccc(F)cc5)cnc24)CN(C)C3=O)cc1.

What is the InChIKey of 5-[dimethylsulfamoyl(methyl)amino]-3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-6H-pyrrolo[3,4-g]quinolin-8-one;5-[dimethylsulfamoyl(methyl)amino]-3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-6H-pyrrolo[3,4-g]quinolin-8-one;3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-5-[methyl(methylsulfamoyl)amino]-8-oxo-6H-pyrrolo[3,4-g]quinoline?

The InChIKey is AYKKDNMNFRSDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31FN4O5S.C29H29FN4O5S.C22H23FN4O4S/c1-33(2)41(37,38)35(4)28-24-15-21(14-19-6-10-22(31)11-7-19)16-32-27(24)29(26-25(28)17-34(3)30(26)36)40-18-20-8-12-23(39-5)13-9-20;1-31-40(36,37)34(3)27-23-14-20(13-18-5-9-21(30)10-6-18)15-32-26(23)28(25-24(27)16-33(2)29(25)35)39-17-19-7-11-22(38-4)12-8-19;1-25(2)32(30,31)27(4)20-16-10-14(9-13-5-7-15(23)8-6-13)11-24-19(16)21(28)18-17(20)12-26(3)22(18)29/h6-13,15-16H,14,17-18H2,1-5H3;5-12,14-15,31H,13,16-17H2,1-4H3;5-8,10-11,28H,9,12H2,1-4H3.

What are the key properties of 5-[dimethylsulfamoyl(methyl)amino]-3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-6H-pyrrolo[3,4-g]quinolin-8-one;5-[dimethylsulfamoyl(methyl)amino]-3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-6H-pyrrolo[3,4-g]quinolin-8-one;3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-5-[methyl(methylsulfamoyl)amino]-8-oxo-6H-pyrrolo[3,4-g]quinoline?

5-[dimethylsulfamoyl(methyl)amino]-3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-6H-pyrrolo[3,4-g]quinolin-8-one;5-[dimethylsulfamoyl(methyl)amino]-3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-6H-pyrrolo[3,4-g]quinolin-8-one;3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-5-[methyl(methylsulfamoyl)amino]-8-oxo-6H-pyrrolo[3,4-g]quinoline has a molecular weight of 1601.82 g/mol, XLogP of 10.92, 23 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[dimethylsulfamoyl(methyl)amino]-3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-6H-pyrrolo[3,4-g]quinolin-8-one;5-[dimethylsulfamoyl(methyl)amino]-3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-6H-pyrrolo[3,4-g]quinolin-8-one;3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-5-[methyl(methylsulfamoyl)amino]-8-oxo-6H-pyrrolo[3,4-g]quinoline is sourced from PubChem (CID 157269890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).