(3-aminopyrrolidin-1-yl)-[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazolin-8-yl]methanone;(3-aminopyrrolidin-1-yl)-[2-(3-propan-2-yloxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone;[2-(benzylamino)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;piperazin-1-yl-[2-(3-propan-2-yloxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone

C139H139N31O13S8 — CID 158558611

About (3-aminopyrrolidin-1-yl)-[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazolin-8-yl]methanone;(3-aminopyrrolidin-1-yl)-[2-(3-propan-2-yloxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone;[2-(benzylamino)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;piperazin-1-yl-[2-(3-propan-2-yloxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone

(3-aminopyrrolidin-1-yl)-[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazolin-8-yl]methanone;(3-aminopyrrolidin-1-yl)-[2-(3-propan-2-yloxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone;[2-(benzylamino)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;piperazin-1-yl-[2-(3-propan-2-yloxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone (PubChem CID 158558611) has the molecular formula C139H139N31O13S8 and a molecular weight of 2708.38 g/mol. Its IUPAC name is (3-aminopyrrolidin-1-yl)-[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazolin-8-yl]methanone;(3-aminopyrrolidin-1-yl)-[2-(3-propan-2-yloxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone;[2-(benzylamino)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;piperazin-1-yl-[2-(3-propan-2-yloxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone.

Molecular Properties

• Compound Name: (3-aminopyrrolidin-1-yl)-[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazolin-8-yl]methanone;(3-aminopyrrolidin-1-yl)-[2-(3-propan-2-yloxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone;[2-(benzylamino)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;piperazin-1-yl-[2-(3-propan-2-yloxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone
• PubChem CID: 158558611
• Molecular Formula: C139H139N31O13S8
• Molecular Weight: 2708.38 g/mol
• Exact Mass: 2705.89
• IUPAC Name: (3-aminopyrrolidin-1-yl)-[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazolin-8-yl]methanone;(3-aminopyrrolidin-1-yl)-[2-(3-propan-2-yloxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone;[2-(benzylamino)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;piperazin-1-yl-[2-(3-propan-2-yloxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone
• SMILES: CC(C)Oc1cccc(Nc2ncc3ccc4sc(C(=O)N5CCC(N)C5)cc4c3n2)c1.CC(C)Oc1cccc(Nc2ncc3ccc4sc(C(=O)N5CCNCC5)cc4c3n2)c1.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
• InChI: InChI=1S/C25H26N6O2S.2C24H25N5O2S.2C22H21N5O3S2.C22H21N5OS/c32-24(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;1-15(2)31-18-5-3-4-17(12-18)27-24-26-14-16-6-7-20-19(22(16)28-24)13-21(32-20)23(30)29-10-8-25-9-11-29;1-14(2)31-18-5-3-4-17(10-18)27-24-26-12-15-6-7-20-19(22(15)28-24)11-21(32-20)23(30)29-9-8-16(25)13-29;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/h1-6,15-16,26H,7-14H2,(H,27,28,29);3-7,12-15,25H,8-11H2,1-2H3,(H,26,27,28);3-7,10-12,14,16H,8-9,13,25H2,1-2H3,(H,26,27,28);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: HQPHSXWYQAATTF-UHFFFAOYSA-N
• XLogP: 22.14
• TPSA: 548.09 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 44
• Rotatable Bonds: 26
• Heavy Atoms: 191
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2708.38
LogP ≤ 5	22.14
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	44

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;(3-aminopyrrolidin-1-yl)-[2-(3-propan-2-yloxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone;[2-(benzylamino)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;piperazin-1-yl-[2-(3-propan-2-yloxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone?

The IUPAC name of (3-aminopyrrolidin-1-yl)-[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazolin-8-yl]methanone;(3-aminopyrrolidin-1-yl)-[2-(3-propan-2-yloxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone;[2-(benzylamino)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;piperazin-1-yl-[2-(3-propan-2-yloxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone (CID 158558611) is (3-aminopyrrolidin-1-yl)-[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazolin-8-yl]methanone;(3-aminopyrrolidin-1-yl)-[2-(3-propan-2-yloxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone;[2-(benzylamino)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;piperazin-1-yl-[2-(3-propan-2-yloxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone.

What is the SMILES notation for (3-aminopyrrolidin-1-yl)-[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazolin-8-yl]methanone;(3-aminopyrrolidin-1-yl)-[2-(3-propan-2-yloxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone;[2-(benzylamino)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;piperazin-1-yl-[2-(3-propan-2-yloxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone?

The canonical SMILES for (3-aminopyrrolidin-1-yl)-[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazolin-8-yl]methanone;(3-aminopyrrolidin-1-yl)-[2-(3-propan-2-yloxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone;[2-(benzylamino)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;piperazin-1-yl-[2-(3-propan-2-yloxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone is CC(C)Oc1cccc(Nc2ncc3ccc4sc(C(=O)N5CCC(N)C5)cc4c3n2)c1.CC(C)Oc1cccc(Nc2ncc3ccc4sc(C(=O)N5CCNCC5)cc4c3n2)c1.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.

What is the InChIKey of (3-aminopyrrolidin-1-yl)-[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazolin-8-yl]methanone;(3-aminopyrrolidin-1-yl)-[2-(3-propan-2-yloxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone;[2-(benzylamino)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;piperazin-1-yl-[2-(3-propan-2-yloxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone?

The InChIKey is HQPHSXWYQAATTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O2S.2C24H25N5O2S.2C22H21N5O3S2.C22H21N5OS/c32-24(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;1-15(2)31-18-5-3-4-17(12-18)27-24-26-14-16-6-7-20-19(22(16)28-24)13-21(32-20)23(30)29-10-8-25-9-11-29;1-14(2)31-18-5-3-4-17(10-18)27-24-26-12-15-6-7-20-19(22(15)28-24)11-21(32-20)23(30)29-9-8-16(25)13-29;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/h1-6,15-16,26H,7-14H2,(H,27,28,29);3-7,12-15,25H,8-11H2,1-2H3,(H,26,27,28);3-7,10-12,14,16H,8-9,13,25H2,1-2H3,(H,26,27,28);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;(3-aminopyrrolidin-1-yl)-[2-(3-propan-2-yloxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone;[2-(benzylamino)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;piperazin-1-yl-[2-(3-propan-2-yloxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone?

(3-aminopyrrolidin-1-yl)-[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazolin-8-yl]methanone;(3-aminopyrrolidin-1-yl)-[2-(3-propan-2-yloxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone;[2-(benzylamino)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;piperazin-1-yl-[2-(3-propan-2-yloxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone has a molecular weight of 2708.38 g/mol, XLogP of 22.14, 26 rotatable bonds, 12 hydrogen bond donors, and 44 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;(3-aminopyrrolidin-1-yl)-[2-(3-propan-2-yloxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone;[2-(benzylamino)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;piperazin-1-yl-[2-(3-propan-2-yloxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone is sourced from PubChem (CID 158558611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).