7-bromo-2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-(methylamino)-4H-isoquinoline-1,3-dione;6-(cyclopropylmethylamino)-2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-4H-isoquinoline-1,3-dione;2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-[2-(dimethylamino)ethylamino]-4H-isoquinoline-1,3-dione;2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-(2-piperidin-1-ylethylamino)-4H-isoquinoline-1,3-dione;2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-(propylamino)-4H-isoquinoline-1,3-dione

C129H115BrCl10N12O25S10 — CID 158954015

About 7-bromo-2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-(methylamino)-4H-isoquinoline-1,3-dione;6-(cyclopropylmethylamino)-2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-4H-isoquinoline-1,3-dione;2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-[2-(dimethylamino)ethylamino]-4H-isoquinoline-1,3-dione;2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-(2-piperidin-1-ylethylamino)-4H-isoquinoline-1,3-dione;2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-(propylamino)-4H-isoquinoline-1,3-dione

7-bromo-2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-(methylamino)-4H-isoquinoline-1,3-dione;6-(cyclopropylmethylamino)-2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-4H-isoquinoline-1,3-dione;2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-[2-(dimethylamino)ethylamino]-4H-isoquinoline-1,3-dione;2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-(2-piperidin-1-ylethylamino)-4H-isoquinoline-1,3-dione;2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-(propylamino)-4H-isoquinoline-1,3-dione (PubChem CID 158954015) has the molecular formula C129H115BrCl10N12O25S10 and a molecular weight of 2988.50 g/mol. Its IUPAC name is 7-bromo-2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-(methylamino)-4H-isoquinoline-1,3-dione;6-(cyclopropylmethylamino)-2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-4H-isoquinoline-1,3-dione;2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-[2-(dimethylamino)ethylamino]-4H-isoquinoline-1,3-dione;2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-(2-piperidin-1-ylethylamino)-4H-isoquinoline-1,3-dione;2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-(propylamino)-4H-isoquinoline-1,3-dione.

Molecular Properties

• Compound Name: 7-bromo-2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-(methylamino)-4H-isoquinoline-1,3-dione;6-(cyclopropylmethylamino)-2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-4H-isoquinoline-1,3-dione;2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-[2-(dimethylamino)ethylamino]-4H-isoquinoline-1,3-dione;2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-(2-piperidin-1-ylethylamino)-4H-isoquinoline-1,3-dione;2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-(propylamino)-4H-isoquinoline-1,3-dione
• PubChem CID: 158954015
• Molecular Formula: C129H115BrCl10N12O25S10
• Molecular Weight: 2988.50 g/mol
• Exact Mass: 2980.14
• IUPAC Name: 7-bromo-2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-(methylamino)-4H-isoquinoline-1,3-dione;6-(cyclopropylmethylamino)-2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-4H-isoquinoline-1,3-dione;2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-[2-(dimethylamino)ethylamino]-4H-isoquinoline-1,3-dione;2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-(2-piperidin-1-ylethylamino)-4H-isoquinoline-1,3-dione;2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-(propylamino)-4H-isoquinoline-1,3-dione
• SMILES: CCCNc1ccc2c(c1)CC(=O)N(c1ccc(CC(=O)CS(=O)(=O)c3cc(Cl)c(Cl)s3)cc1)C2=O.CN(C)CCNc1ccc2c(c1)CC(=O)N(c1ccc(CC(=O)CS(=O)(=O)c3cc(Cl)c(Cl)s3)cc1)C2=O.CNc1cc2c(cc1Br)C(=O)N(c1ccc(CC(=O)CS(=O)(=O)c3cc(Cl)c(Cl)s3)cc1)C(=O)C2.O=C(Cc1ccc(N2C(=O)Cc3cc(NCC4CC4)ccc3C2=O)cc1)CS(=O)(=O)c1cc(Cl)c(Cl)s1.O=C(Cc1ccc(N2C(=O)Cc3cc(NCCN4CCCCC4)ccc3C2=O)cc1)CS(=O)(=O)c1cc(Cl)c(Cl)s1
• InChI: InChI=1S/C29H29Cl2N3O5S2.C26H25Cl2N3O5S2.C26H22Cl2N2O5S2.C25H22Cl2N2O5S2.C23H17BrCl2N2O5S2/c30-25-17-27(40-28(25)31)41(38,39)18-23(35)14-19-4-7-22(8-5-19)34-26(36)16-20-15-21(6-9-24(20)29(34)37)32-10-13-33-11-2-1-3-12-33;1-30(2)10-9-29-18-5-8-21-17(12-18)13-23(33)31(26(21)34)19-6-3-16(4-7-19)11-20(32)15-38(35,36)24-14-22(27)25(28)37-24;27-22-12-24(36-25(22)28)37(34,35)14-20(31)9-15-3-6-19(7-4-15)30-23(32)11-17-10-18(29-13-16-1-2-16)5-8-21(17)26(30)33;1-2-9-28-17-5-8-20-16(11-17)12-22(31)29(25(20)32)18-6-3-15(4-7-18)10-19(30)14-36(33,34)23-13-21(26)24(27)35-23;1-27-19-7-13-8-20(30)28(23(31)16(13)9-17(19)24)14-4-2-12(3-5-14)6-15(29)11-35(32,33)21-10-18(25)22(26)34-21/h4-9,15,17,32H,1-3,10-14,16,18H2;3-8,12,14,29H,9-11,13,15H2,1-2H3;3-8,10,12,16,29H,1-2,9,11,13-14H2;3-8,11,13,28H,2,9-10,12,14H2,1H3;2-5,7,9-10,27H,6,8,11H2,1H3
• InChIKey: JLUBJPLZBOAJPR-UHFFFAOYSA-N
• XLogP: 25.17
• TPSA: 509.58 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 37
• Rotatable Bonds: 45
• Heavy Atoms: 187
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2988.50
LogP ≤ 5	25.17
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-(methylamino)-4H-isoquinoline-1,3-dione;6-(cyclopropylmethylamino)-2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-4H-isoquinoline-1,3-dione;2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-[2-(dimethylamino)ethylamino]-4H-isoquinoline-1,3-dione;2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-(2-piperidin-1-ylethylamino)-4H-isoquinoline-1,3-dione;2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-(propylamino)-4H-isoquinoline-1,3-dione?

The IUPAC name of 7-bromo-2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-(methylamino)-4H-isoquinoline-1,3-dione;6-(cyclopropylmethylamino)-2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-4H-isoquinoline-1,3-dione;2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-[2-(dimethylamino)ethylamino]-4H-isoquinoline-1,3-dione;2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-(2-piperidin-1-ylethylamino)-4H-isoquinoline-1,3-dione;2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-(propylamino)-4H-isoquinoline-1,3-dione (CID 158954015) is 7-bromo-2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-(methylamino)-4H-isoquinoline-1,3-dione;6-(cyclopropylmethylamino)-2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-4H-isoquinoline-1,3-dione;2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-[2-(dimethylamino)ethylamino]-4H-isoquinoline-1,3-dione;2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-(2-piperidin-1-ylethylamino)-4H-isoquinoline-1,3-dione;2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-(propylamino)-4H-isoquinoline-1,3-dione.

What is the SMILES notation for 7-bromo-2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-(methylamino)-4H-isoquinoline-1,3-dione;6-(cyclopropylmethylamino)-2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-4H-isoquinoline-1,3-dione;2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-[2-(dimethylamino)ethylamino]-4H-isoquinoline-1,3-dione;2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-(2-piperidin-1-ylethylamino)-4H-isoquinoline-1,3-dione;2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-(propylamino)-4H-isoquinoline-1,3-dione?

The canonical SMILES for 7-bromo-2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-(methylamino)-4H-isoquinoline-1,3-dione;6-(cyclopropylmethylamino)-2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-4H-isoquinoline-1,3-dione;2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-[2-(dimethylamino)ethylamino]-4H-isoquinoline-1,3-dione;2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-(2-piperidin-1-ylethylamino)-4H-isoquinoline-1,3-dione;2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-(propylamino)-4H-isoquinoline-1,3-dione is CCCNc1ccc2c(c1)CC(=O)N(c1ccc(CC(=O)CS(=O)(=O)c3cc(Cl)c(Cl)s3)cc1)C2=O.CN(C)CCNc1ccc2c(c1)CC(=O)N(c1ccc(CC(=O)CS(=O)(=O)c3cc(Cl)c(Cl)s3)cc1)C2=O.CNc1cc2c(cc1Br)C(=O)N(c1ccc(CC(=O)CS(=O)(=O)c3cc(Cl)c(Cl)s3)cc1)C(=O)C2.O=C(Cc1ccc(N2C(=O)Cc3cc(NCC4CC4)ccc3C2=O)cc1)CS(=O)(=O)c1cc(Cl)c(Cl)s1.O=C(Cc1ccc(N2C(=O)Cc3cc(NCCN4CCCCC4)ccc3C2=O)cc1)CS(=O)(=O)c1cc(Cl)c(Cl)s1.

What is the InChIKey of 7-bromo-2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-(methylamino)-4H-isoquinoline-1,3-dione;6-(cyclopropylmethylamino)-2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-4H-isoquinoline-1,3-dione;2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-[2-(dimethylamino)ethylamino]-4H-isoquinoline-1,3-dione;2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-(2-piperidin-1-ylethylamino)-4H-isoquinoline-1,3-dione;2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-(propylamino)-4H-isoquinoline-1,3-dione?

The InChIKey is JLUBJPLZBOAJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29Cl2N3O5S2.C26H25Cl2N3O5S2.C26H22Cl2N2O5S2.C25H22Cl2N2O5S2.C23H17BrCl2N2O5S2/c30-25-17-27(40-28(25)31)41(38,39)18-23(35)14-19-4-7-22(8-5-19)34-26(36)16-20-15-21(6-9-24(20)29(34)37)32-10-13-33-11-2-1-3-12-33;1-30(2)10-9-29-18-5-8-21-17(12-18)13-23(33)31(26(21)34)19-6-3-16(4-7-19)11-20(32)15-38(35,36)24-14-22(27)25(28)37-24;27-22-12-24(36-25(22)28)37(34,35)14-20(31)9-15-3-6-19(7-4-15)30-23(32)11-17-10-18(29-13-16-1-2-16)5-8-21(17)26(30)33;1-2-9-28-17-5-8-20-16(11-17)12-22(31)29(25(20)32)18-6-3-15(4-7-18)10-19(30)14-36(33,34)23-13-21(26)24(27)35-23;1-27-19-7-13-8-20(30)28(23(31)16(13)9-17(19)24)14-4-2-12(3-5-14)6-15(29)11-35(32,33)21-10-18(25)22(26)34-21/h4-9,15,17,32H,1-3,10-14,16,18H2;3-8,12,14,29H,9-11,13,15H2,1-2H3;3-8,10,12,16,29H,1-2,9,11,13-14H2;3-8,11,13,28H,2,9-10,12,14H2,1H3;2-5,7,9-10,27H,6,8,11H2,1H3.

What are the key properties of 7-bromo-2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-(methylamino)-4H-isoquinoline-1,3-dione;6-(cyclopropylmethylamino)-2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-4H-isoquinoline-1,3-dione;2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-[2-(dimethylamino)ethylamino]-4H-isoquinoline-1,3-dione;2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-(2-piperidin-1-ylethylamino)-4H-isoquinoline-1,3-dione;2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-(propylamino)-4H-isoquinoline-1,3-dione?

7-bromo-2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-(methylamino)-4H-isoquinoline-1,3-dione;6-(cyclopropylmethylamino)-2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-4H-isoquinoline-1,3-dione;2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-[2-(dimethylamino)ethylamino]-4H-isoquinoline-1,3-dione;2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-(2-piperidin-1-ylethylamino)-4H-isoquinoline-1,3-dione;2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-(propylamino)-4H-isoquinoline-1,3-dione has a molecular weight of 2988.50 g/mol, XLogP of 25.17, 45 rotatable bonds, 5 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 7-bromo-2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-(methylamino)-4H-isoquinoline-1,3-dione;6-(cyclopropylmethylamino)-2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-4H-isoquinoline-1,3-dione;2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-[2-(dimethylamino)ethylamino]-4H-isoquinoline-1,3-dione;2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-(2-piperidin-1-ylethylamino)-4H-isoquinoline-1,3-dione;2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-(propylamino)-4H-isoquinoline-1,3-dione is sourced from PubChem (CID 158954015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).