(3-aminopyrrolidin-1-yl)-[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazolin-8-yl]methanone;[2-(benzylamino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-[3-(2-chlorothiophen-3-yl)anilino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-(4-morpholin-4-ylanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone

C116H109ClN26O10S8 — CID 157183207

About (3-aminopyrrolidin-1-yl)-[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazolin-8-yl]methanone;[2-(benzylamino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-[3-(2-chlorothiophen-3-yl)anilino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-(4-morpholin-4-ylanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone

(3-aminopyrrolidin-1-yl)-[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazolin-8-yl]methanone;[2-(benzylamino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-[3-(2-chlorothiophen-3-yl)anilino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-(4-morpholin-4-ylanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone (PubChem CID 157183207) has the molecular formula C116H109ClN26O10S8 and a molecular weight of 2319.31 g/mol. Its IUPAC name is (3-aminopyrrolidin-1-yl)-[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazolin-8-yl]methanone;[2-(benzylamino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-[3-(2-chlorothiophen-3-yl)anilino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-(4-morpholin-4-ylanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone.

Molecular Properties

• Compound Name: (3-aminopyrrolidin-1-yl)-[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazolin-8-yl]methanone;[2-(benzylamino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-[3-(2-chlorothiophen-3-yl)anilino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-(4-morpholin-4-ylanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone
• PubChem CID: 157183207
• Molecular Formula: C116H109ClN26O10S8
• Molecular Weight: 2319.31 g/mol
• Exact Mass: 2316.63
• IUPAC Name: (3-aminopyrrolidin-1-yl)-[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazolin-8-yl]methanone;[2-(benzylamino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-[3-(2-chlorothiophen-3-yl)anilino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-(4-morpholin-4-ylanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone
• SMILES: CS(=O)(=O)c1cccc(Nc2ncc3ccc4sc(C(=O)N5CCC(N)C5)cc4c3n2)c1.CS(=O)(=O)c1cccc(Nc2ncc3ccc4sc(C(=O)N5CCNCC5)cc4c3n2)c1.O=C(c1cc2c(ccc3cnc(NCc4ccccc4)nc32)s1)N1CCNCC1.O=C(c1cc2c(ccc3cnc(Nc4ccc(N5CCOCC5)cc4)nc32)s1)N1CCNCC1.O=C(c1cc2c(ccc3cnc(Nc4cccc(-c5ccsc5Cl)c4)nc32)s1)N1CCNCC1
• InChI: InChI=1S/C25H20ClN5OS2.C25H26N6O2S.2C22H21N5O3S2.C22H21N5OS/c26-23-18(6-11-33-23)15-2-1-3-17(12-15)29-25-28-14-16-4-5-20-19(22(16)30-25)13-21(34-20)24(32)31-9-7-27-8-10-31;32-24(31-9-7-26-8-10-31)22-15-20-21(34-22)6-1-17-16-27-25(29-23(17)20)28-18-2-4-19(5-3-18)30-11-13-33-14-12-30;1-32(29,30)16-4-2-3-15(11-16)25-22-24-13-14-5-6-18-17(20(14)26-22)12-19(31-18)21(28)27-9-7-23-8-10-27;1-32(29,30)16-4-2-3-15(9-16)25-22-24-11-13-5-6-18-17(20(13)26-22)10-19(31-18)21(28)27-8-7-14(23)12-27;28-21(27-10-8-23-9-11-27)19-12-17-18(29-19)7-6-16-14-25-22(26-20(16)17)24-13-15-4-2-1-3-5-15/h1-6,11-14,27H,7-10H2,(H,28,29,30);1-6,15-16,26H,7-14H2,(H,27,28,29);2-6,11-13,23H,7-10H2,1H3,(H,24,25,26);2-6,9-11,14H,7-8,12,23H2,1H3,(H,24,25,26);1-7,12,14,23H,8-11,13H2,(H,24,25,26)
• InChIKey: AOUNCURDVIIGNX-UHFFFAOYSA-N
• XLogP: 19.19
• TPSA: 445.49 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 37
• Rotatable Bonds: 20
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2319.31
LogP ≤ 5	19.19
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3-aminopyrrolidin-1-yl)-[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazolin-8-yl]methanone;[2-(benzylamino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-[3-(2-chlorothiophen-3-yl)anilino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-(4-morpholin-4-ylanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone?

The IUPAC name of (3-aminopyrrolidin-1-yl)-[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazolin-8-yl]methanone;[2-(benzylamino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-[3-(2-chlorothiophen-3-yl)anilino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-(4-morpholin-4-ylanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone (CID 157183207) is (3-aminopyrrolidin-1-yl)-[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazolin-8-yl]methanone;[2-(benzylamino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-[3-(2-chlorothiophen-3-yl)anilino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-(4-morpholin-4-ylanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone.

What is the SMILES notation for (3-aminopyrrolidin-1-yl)-[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazolin-8-yl]methanone;[2-(benzylamino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-[3-(2-chlorothiophen-3-yl)anilino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-(4-morpholin-4-ylanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone?

The canonical SMILES for (3-aminopyrrolidin-1-yl)-[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazolin-8-yl]methanone;[2-(benzylamino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-[3-(2-chlorothiophen-3-yl)anilino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-(4-morpholin-4-ylanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone is CS(=O)(=O)c1cccc(Nc2ncc3ccc4sc(C(=O)N5CCC(N)C5)cc4c3n2)c1.CS(=O)(=O)c1cccc(Nc2ncc3ccc4sc(C(=O)N5CCNCC5)cc4c3n2)c1.O=C(c1cc2c(ccc3cnc(NCc4ccccc4)nc32)s1)N1CCNCC1.O=C(c1cc2c(ccc3cnc(Nc4ccc(N5CCOCC5)cc4)nc32)s1)N1CCNCC1.O=C(c1cc2c(ccc3cnc(Nc4cccc(-c5ccsc5Cl)c4)nc32)s1)N1CCNCC1.

What is the InChIKey of (3-aminopyrrolidin-1-yl)-[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazolin-8-yl]methanone;[2-(benzylamino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-[3-(2-chlorothiophen-3-yl)anilino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-(4-morpholin-4-ylanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone?

The InChIKey is AOUNCURDVIIGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClN5OS2.C25H26N6O2S.2C22H21N5O3S2.C22H21N5OS/c26-23-18(6-11-33-23)15-2-1-3-17(12-15)29-25-28-14-16-4-5-20-19(22(16)30-25)13-21(34-20)24(32)31-9-7-27-8-10-31;32-24(31-9-7-26-8-10-31)22-15-20-21(34-22)6-1-17-16-27-25(29-23(17)20)28-18-2-4-19(5-3-18)30-11-13-33-14-12-30;1-32(29,30)16-4-2-3-15(11-16)25-22-24-13-14-5-6-18-17(20(14)26-22)12-19(31-18)21(28)27-9-7-23-8-10-27;1-32(29,30)16-4-2-3-15(9-16)25-22-24-11-13-5-6-18-17(20(13)26-22)10-19(31-18)21(28)27-8-7-14(23)12-27;28-21(27-10-8-23-9-11-27)19-12-17-18(29-19)7-6-16-14-25-22(26-20(16)17)24-13-15-4-2-1-3-5-15/h1-6,11-14,27H,7-10H2,(H,28,29,30);1-6,15-16,26H,7-14H2,(H,27,28,29);2-6,11-13,23H,7-10H2,1H3,(H,24,25,26);2-6,9-11,14H,7-8,12,23H2,1H3,(H,24,25,26);1-7,12,14,23H,8-11,13H2,(H,24,25,26).

What are the key properties of (3-aminopyrrolidin-1-yl)-[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazolin-8-yl]methanone;[2-(benzylamino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-[3-(2-chlorothiophen-3-yl)anilino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-(4-morpholin-4-ylanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone?

(3-aminopyrrolidin-1-yl)-[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazolin-8-yl]methanone;[2-(benzylamino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-[3-(2-chlorothiophen-3-yl)anilino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-(4-morpholin-4-ylanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone has a molecular weight of 2319.31 g/mol, XLogP of 19.19, 20 rotatable bonds, 10 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for (3-aminopyrrolidin-1-yl)-[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazolin-8-yl]methanone;[2-(benzylamino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-[3-(2-chlorothiophen-3-yl)anilino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-(4-morpholin-4-ylanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 157183207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).