6-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-1H-imidazo[4,5-g]isoquinolin-5-one;6-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-2-methyl-1,3-dihydropyrrolo[3,4-g]isoquinolin-5-one;2-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-6-methyl-4-phenylisoquinolin-1-one;2-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-6-methyl-4-pyridin-4-ylisoquinolin-1-one;2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-4H-isoquinoline-1,3-dione

C126H91Cl5F4N10O21S10 — CID 158388770

About 6-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-1H-imidazo[4,5-g]isoquinolin-5-one;6-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-2-methyl-1,3-dihydropyrrolo[3,4-g]isoquinolin-5-one;2-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-6-methyl-4-phenylisoquinolin-1-one;2-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-6-methyl-4-pyridin-4-ylisoquinolin-1-one;2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-4H-isoquinoline-1,3-dione

6-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-1H-imidazo[4,5-g]isoquinolin-5-one;6-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-2-methyl-1,3-dihydropyrrolo[3,4-g]isoquinolin-5-one;2-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-6-methyl-4-phenylisoquinolin-1-one;2-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-6-methyl-4-pyridin-4-ylisoquinolin-1-one;2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-4H-isoquinoline-1,3-dione (PubChem CID 158388770) has the molecular formula C126H91Cl5F4N10O21S10 and a molecular weight of 2655.09 g/mol. Its IUPAC name is 6-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-1H-imidazo[4,5-g]isoquinolin-5-one;6-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-2-methyl-1,3-dihydropyrrolo[3,4-g]isoquinolin-5-one;2-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-6-methyl-4-phenylisoquinolin-1-one;2-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-6-methyl-4-pyridin-4-ylisoquinolin-1-one;2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-4H-isoquinoline-1,3-dione.

Molecular Properties

• Compound Name: 6-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-1H-imidazo[4,5-g]isoquinolin-5-one;6-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-2-methyl-1,3-dihydropyrrolo[3,4-g]isoquinolin-5-one;2-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-6-methyl-4-phenylisoquinolin-1-one;2-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-6-methyl-4-pyridin-4-ylisoquinolin-1-one;2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-4H-isoquinoline-1,3-dione
• PubChem CID: 158388770
• Molecular Formula: C126H91Cl5F4N10O21S10
• Molecular Weight: 2655.09 g/mol
• Exact Mass: 2650.19
• IUPAC Name: 6-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-1H-imidazo[4,5-g]isoquinolin-5-one;6-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-2-methyl-1,3-dihydropyrrolo[3,4-g]isoquinolin-5-one;2-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-6-methyl-4-phenylisoquinolin-1-one;2-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-6-methyl-4-pyridin-4-ylisoquinolin-1-one;2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-4H-isoquinoline-1,3-dione
• SMILES: CN1Cc2cc3ccn(-c4ccc(CC(=O)CS(=O)(=O)c5ccc(Cl)s5)cc4F)c(=O)c3cc2C1.Cc1ccc2c(=O)n(-c3ccc(CC(=O)CS(=O)(=O)c4ccc(Cl)s4)cc3F)cc(-c3ccccc3)c2c1.Cc1ccc2c(=O)n(-c3ccc(CC(=O)CS(=O)(=O)c4ccc(Cl)s4)cc3F)cc(-c3ccncc3)c2c1.O=C(Cc1ccc(-n2ccc3cc4[nH]cnc4cc3c2=O)c(F)c1)CS(=O)(=O)c1ccc(Cl)s1.O=C(Cc1ccc(N2C(=O)Cc3ccccc3C2=O)nc1)CS(=O)(=O)c1ccc(Cl)s1
• InChI: InChI=1S/C29H21ClFNO4S2.C28H20ClFN2O4S2.C25H20ClFN2O4S2.C23H15ClFN3O4S2.C21H15ClN2O5S2/c1-18-7-9-22-23(13-18)24(20-5-3-2-4-6-20)16-32(29(22)34)26-10-8-19(15-25(26)31)14-21(33)17-38(35,36)28-12-11-27(30)37-28;1-17-2-4-21-22(12-17)23(19-8-10-31-11-9-19)15-32(28(21)34)25-5-3-18(14-24(25)30)13-20(33)16-38(35,36)27-7-6-26(29)37-27;1-28-12-17-10-16-6-7-29(25(31)20(16)11-18(17)13-28)22-3-2-15(9-21(22)27)8-19(30)14-35(32,33)24-5-4-23(26)34-24;24-21-3-4-22(33-21)34(31,32)11-15(29)7-13-1-2-20(17(25)8-13)28-6-5-14-9-18-19(27-12-26-18)10-16(14)23(28)30;22-17-6-8-20(30-17)31(28,29)12-15(25)9-13-5-7-18(23-11-13)24-19(26)10-14-3-1-2-4-16(14)21(24)27/h2-13,15-16H,14,17H2,1H3;2-12,14-15H,13,16H2,1H3;2-7,9-11H,8,12-14H2,1H3;1-6,8-10,12H,7,11H2,(H,26,27);1-8,11H,9-10,12H2
• InChIKey: GWRMFAHCJWSUJC-UHFFFAOYSA-N
• XLogP: 24.00
• TPSA: 439.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 34
• Rotatable Bonds: 32
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2655.09
LogP ≤ 5	24.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-1H-imidazo[4,5-g]isoquinolin-5-one;6-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-2-methyl-1,3-dihydropyrrolo[3,4-g]isoquinolin-5-one;2-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-6-methyl-4-phenylisoquinolin-1-one;2-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-6-methyl-4-pyridin-4-ylisoquinolin-1-one;2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-4H-isoquinoline-1,3-dione?

The IUPAC name of 6-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-1H-imidazo[4,5-g]isoquinolin-5-one;6-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-2-methyl-1,3-dihydropyrrolo[3,4-g]isoquinolin-5-one;2-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-6-methyl-4-phenylisoquinolin-1-one;2-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-6-methyl-4-pyridin-4-ylisoquinolin-1-one;2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-4H-isoquinoline-1,3-dione (CID 158388770) is 6-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-1H-imidazo[4,5-g]isoquinolin-5-one;6-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-2-methyl-1,3-dihydropyrrolo[3,4-g]isoquinolin-5-one;2-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-6-methyl-4-phenylisoquinolin-1-one;2-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-6-methyl-4-pyridin-4-ylisoquinolin-1-one;2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-4H-isoquinoline-1,3-dione.

What is the SMILES notation for 6-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-1H-imidazo[4,5-g]isoquinolin-5-one;6-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-2-methyl-1,3-dihydropyrrolo[3,4-g]isoquinolin-5-one;2-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-6-methyl-4-phenylisoquinolin-1-one;2-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-6-methyl-4-pyridin-4-ylisoquinolin-1-one;2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-4H-isoquinoline-1,3-dione?

The canonical SMILES for 6-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-1H-imidazo[4,5-g]isoquinolin-5-one;6-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-2-methyl-1,3-dihydropyrrolo[3,4-g]isoquinolin-5-one;2-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-6-methyl-4-phenylisoquinolin-1-one;2-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-6-methyl-4-pyridin-4-ylisoquinolin-1-one;2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-4H-isoquinoline-1,3-dione is CN1Cc2cc3ccn(-c4ccc(CC(=O)CS(=O)(=O)c5ccc(Cl)s5)cc4F)c(=O)c3cc2C1.Cc1ccc2c(=O)n(-c3ccc(CC(=O)CS(=O)(=O)c4ccc(Cl)s4)cc3F)cc(-c3ccccc3)c2c1.Cc1ccc2c(=O)n(-c3ccc(CC(=O)CS(=O)(=O)c4ccc(Cl)s4)cc3F)cc(-c3ccncc3)c2c1.O=C(Cc1ccc(-n2ccc3cc4[nH]cnc4cc3c2=O)c(F)c1)CS(=O)(=O)c1ccc(Cl)s1.O=C(Cc1ccc(N2C(=O)Cc3ccccc3C2=O)nc1)CS(=O)(=O)c1ccc(Cl)s1.

What is the InChIKey of 6-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-1H-imidazo[4,5-g]isoquinolin-5-one;6-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-2-methyl-1,3-dihydropyrrolo[3,4-g]isoquinolin-5-one;2-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-6-methyl-4-phenylisoquinolin-1-one;2-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-6-methyl-4-pyridin-4-ylisoquinolin-1-one;2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-4H-isoquinoline-1,3-dione?

The InChIKey is GWRMFAHCJWSUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21ClFNO4S2.C28H20ClFN2O4S2.C25H20ClFN2O4S2.C23H15ClFN3O4S2.C21H15ClN2O5S2/c1-18-7-9-22-23(13-18)24(20-5-3-2-4-6-20)16-32(29(22)34)26-10-8-19(15-25(26)31)14-21(33)17-38(35,36)28-12-11-27(30)37-28;1-17-2-4-21-22(12-17)23(19-8-10-31-11-9-19)15-32(28(21)34)25-5-3-18(14-24(25)30)13-20(33)16-38(35,36)27-7-6-26(29)37-27;1-28-12-17-10-16-6-7-29(25(31)20(16)11-18(17)13-28)22-3-2-15(9-21(22)27)8-19(30)14-35(32,33)24-5-4-23(26)34-24;24-21-3-4-22(33-21)34(31,32)11-15(29)7-13-1-2-20(17(25)8-13)28-6-5-14-9-18-19(27-12-26-18)10-16(14)23(28)30;22-17-6-8-20(30-17)31(28,29)12-15(25)9-13-5-7-18(23-11-13)24-19(26)10-14-3-1-2-4-16(14)21(24)27/h2-13,15-16H,14,17H2,1H3;2-12,14-15H,13,16H2,1H3;2-7,9-11H,8,12-14H2,1H3;1-6,8-10,12H,7,11H2,(H,26,27);1-8,11H,9-10,12H2.

What are the key properties of 6-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-1H-imidazo[4,5-g]isoquinolin-5-one;6-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-2-methyl-1,3-dihydropyrrolo[3,4-g]isoquinolin-5-one;2-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-6-methyl-4-phenylisoquinolin-1-one;2-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-6-methyl-4-pyridin-4-ylisoquinolin-1-one;2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-4H-isoquinoline-1,3-dione?

6-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-1H-imidazo[4,5-g]isoquinolin-5-one;6-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-2-methyl-1,3-dihydropyrrolo[3,4-g]isoquinolin-5-one;2-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-6-methyl-4-phenylisoquinolin-1-one;2-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-6-methyl-4-pyridin-4-ylisoquinolin-1-one;2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-4H-isoquinoline-1,3-dione has a molecular weight of 2655.09 g/mol, XLogP of 24.00, 32 rotatable bonds, 1 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-1H-imidazo[4,5-g]isoquinolin-5-one;6-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-2-methyl-1,3-dihydropyrrolo[3,4-g]isoquinolin-5-one;2-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-6-methyl-4-phenylisoquinolin-1-one;2-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-6-methyl-4-pyridin-4-ylisoquinolin-1-one;2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-4H-isoquinoline-1,3-dione is sourced from PubChem (CID 158388770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).