[2-[2-(1H-imidazol-5-yl)ethylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-[2-(4-methoxyphenyl)ethylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-[(4-methylsulfonylphenyl)methylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;piperazin-1-yl-[2-(2-pyridin-2-ylethylamino)thieno[2,3-h]quinazolin-8-yl]methanone;piperazin-1-yl-[2-(2-pyridin-3-ylethylamino)thieno[2,3-h]quinazolin-8-yl]methanone

C111H113N29O8S6 — CID 157361590

About [2-[2-(1H-imidazol-5-yl)ethylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-[2-(4-methoxyphenyl)ethylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-[(4-methylsulfonylphenyl)methylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;piperazin-1-yl-[2-(2-pyridin-2-ylethylamino)thieno[2,3-h]quinazolin-8-yl]methanone;piperazin-1-yl-[2-(2-pyridin-3-ylethylamino)thieno[2,3-h]quinazolin-8-yl]methanone

[2-[2-(1H-imidazol-5-yl)ethylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-[2-(4-methoxyphenyl)ethylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-[(4-methylsulfonylphenyl)methylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;piperazin-1-yl-[2-(2-pyridin-2-ylethylamino)thieno[2,3-h]quinazolin-8-yl]methanone;piperazin-1-yl-[2-(2-pyridin-3-ylethylamino)thieno[2,3-h]quinazolin-8-yl]methanone (PubChem CID 157361590) has the molecular formula C111H113N29O8S6 and a molecular weight of 2173.72 g/mol. Its IUPAC name is [2-[2-(1H-imidazol-5-yl)ethylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-[2-(4-methoxyphenyl)ethylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-[(4-methylsulfonylphenyl)methylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;piperazin-1-yl-[2-(2-pyridin-2-ylethylamino)thieno[2,3-h]quinazolin-8-yl]methanone;piperazin-1-yl-[2-(2-pyridin-3-ylethylamino)thieno[2,3-h]quinazolin-8-yl]methanone.

Molecular Properties

• Compound Name: [2-[2-(1H-imidazol-5-yl)ethylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-[2-(4-methoxyphenyl)ethylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-[(4-methylsulfonylphenyl)methylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;piperazin-1-yl-[2-(2-pyridin-2-ylethylamino)thieno[2,3-h]quinazolin-8-yl]methanone;piperazin-1-yl-[2-(2-pyridin-3-ylethylamino)thieno[2,3-h]quinazolin-8-yl]methanone
• PubChem CID: 157361590
• Molecular Formula: C111H113N29O8S6
• Molecular Weight: 2173.72 g/mol
• Exact Mass: 2171.77
• IUPAC Name: [2-[2-(1H-imidazol-5-yl)ethylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-[2-(4-methoxyphenyl)ethylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-[(4-methylsulfonylphenyl)methylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;piperazin-1-yl-[2-(2-pyridin-2-ylethylamino)thieno[2,3-h]quinazolin-8-yl]methanone;piperazin-1-yl-[2-(2-pyridin-3-ylethylamino)thieno[2,3-h]quinazolin-8-yl]methanone
• SMILES: COc1ccc(CCNc2ncc3ccc4sc(C(=O)N5CCNCC5)cc4c3n2)cc1.CS(=O)(=O)c1ccc(CNc2ncc3ccc4sc(C(=O)N5CCNCC5)cc4c3n2)cc1.O=C(c1cc2c(ccc3cnc(NCCc4ccccn4)nc32)s1)N1CCNCC1.O=C(c1cc2c(ccc3cnc(NCCc4cccnc4)nc32)s1)N1CCNCC1.O=C(c1cc2c(ccc3cnc(NCCc4cnc[nH]4)nc32)s1)N1CCNCC1
• InChI: InChI=1S/C24H25N5O2S.C23H23N5O3S2.2C22H22N6OS.C20H21N7OS/c1-31-18-5-2-16(3-6-18)8-9-26-24-27-15-17-4-7-20-19(22(17)28-24)14-21(32-20)23(30)29-12-10-25-11-13-29;1-33(30,31)17-5-2-15(3-6-17)13-25-23-26-14-16-4-7-19-18(21(16)27-23)12-20(32-19)22(29)28-10-8-24-9-11-28;29-21(28-10-8-23-9-11-28)19-12-17-18(30-19)4-3-16-14-26-22(27-20(16)17)25-7-5-15-2-1-6-24-13-15;29-21(28-11-9-23-10-12-28)19-13-17-18(30-19)5-4-15-14-26-22(27-20(15)17)25-8-6-16-3-1-2-7-24-16;28-19(27-7-5-21-6-8-27)17-9-15-16(29-17)2-1-13-10-24-20(26-18(13)15)23-4-3-14-11-22-12-25-14/h2-7,14-15,25H,8-13H2,1H3,(H,26,27,28);2-7,12,14,24H,8-11,13H2,1H3,(H,25,26,27);1-4,6,12-14,23H,5,7-11H2,(H,25,26,27);1-5,7,13-14,23H,6,8-12H2,(H,25,26,27);1-2,9-12,21H,3-8H2,(H,22,25)(H,23,24,26)
• InChIKey: BIRWSEWADVDKJI-UHFFFAOYSA-N
• XLogP: 14.61
• TPSA: 448.58 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 36
• Rotatable Bonds: 26
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2173.72
LogP ≤ 5	14.61
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of [2-[2-(1H-imidazol-5-yl)ethylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-[2-(4-methoxyphenyl)ethylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-[(4-methylsulfonylphenyl)methylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;piperazin-1-yl-[2-(2-pyridin-2-ylethylamino)thieno[2,3-h]quinazolin-8-yl]methanone;piperazin-1-yl-[2-(2-pyridin-3-ylethylamino)thieno[2,3-h]quinazolin-8-yl]methanone?

The IUPAC name of [2-[2-(1H-imidazol-5-yl)ethylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-[2-(4-methoxyphenyl)ethylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-[(4-methylsulfonylphenyl)methylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;piperazin-1-yl-[2-(2-pyridin-2-ylethylamino)thieno[2,3-h]quinazolin-8-yl]methanone;piperazin-1-yl-[2-(2-pyridin-3-ylethylamino)thieno[2,3-h]quinazolin-8-yl]methanone (CID 157361590) is [2-[2-(1H-imidazol-5-yl)ethylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-[2-(4-methoxyphenyl)ethylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-[(4-methylsulfonylphenyl)methylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;piperazin-1-yl-[2-(2-pyridin-2-ylethylamino)thieno[2,3-h]quinazolin-8-yl]methanone;piperazin-1-yl-[2-(2-pyridin-3-ylethylamino)thieno[2,3-h]quinazolin-8-yl]methanone.

What is the SMILES notation for [2-[2-(1H-imidazol-5-yl)ethylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-[2-(4-methoxyphenyl)ethylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-[(4-methylsulfonylphenyl)methylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;piperazin-1-yl-[2-(2-pyridin-2-ylethylamino)thieno[2,3-h]quinazolin-8-yl]methanone;piperazin-1-yl-[2-(2-pyridin-3-ylethylamino)thieno[2,3-h]quinazolin-8-yl]methanone?

The canonical SMILES for [2-[2-(1H-imidazol-5-yl)ethylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-[2-(4-methoxyphenyl)ethylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-[(4-methylsulfonylphenyl)methylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;piperazin-1-yl-[2-(2-pyridin-2-ylethylamino)thieno[2,3-h]quinazolin-8-yl]methanone;piperazin-1-yl-[2-(2-pyridin-3-ylethylamino)thieno[2,3-h]quinazolin-8-yl]methanone is COc1ccc(CCNc2ncc3ccc4sc(C(=O)N5CCNCC5)cc4c3n2)cc1.CS(=O)(=O)c1ccc(CNc2ncc3ccc4sc(C(=O)N5CCNCC5)cc4c3n2)cc1.O=C(c1cc2c(ccc3cnc(NCCc4ccccn4)nc32)s1)N1CCNCC1.O=C(c1cc2c(ccc3cnc(NCCc4cccnc4)nc32)s1)N1CCNCC1.O=C(c1cc2c(ccc3cnc(NCCc4cnc[nH]4)nc32)s1)N1CCNCC1.

What is the InChIKey of [2-[2-(1H-imidazol-5-yl)ethylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-[2-(4-methoxyphenyl)ethylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-[(4-methylsulfonylphenyl)methylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;piperazin-1-yl-[2-(2-pyridin-2-ylethylamino)thieno[2,3-h]quinazolin-8-yl]methanone;piperazin-1-yl-[2-(2-pyridin-3-ylethylamino)thieno[2,3-h]quinazolin-8-yl]methanone?

The InChIKey is BIRWSEWADVDKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2S.C23H23N5O3S2.2C22H22N6OS.C20H21N7OS/c1-31-18-5-2-16(3-6-18)8-9-26-24-27-15-17-4-7-20-19(22(17)28-24)14-21(32-20)23(30)29-12-10-25-11-13-29;1-33(30,31)17-5-2-15(3-6-17)13-25-23-26-14-16-4-7-19-18(21(16)27-23)12-20(32-19)22(29)28-10-8-24-9-11-28;29-21(28-10-8-23-9-11-28)19-12-17-18(30-19)4-3-16-14-26-22(27-20(16)17)25-7-5-15-2-1-6-24-13-15;29-21(28-11-9-23-10-12-28)19-13-17-18(30-19)5-4-15-14-26-22(27-20(15)17)25-8-6-16-3-1-2-7-24-16;28-19(27-7-5-21-6-8-27)17-9-15-16(29-17)2-1-13-10-24-20(26-18(13)15)23-4-3-14-11-22-12-25-14/h2-7,14-15,25H,8-13H2,1H3,(H,26,27,28);2-7,12,14,24H,8-11,13H2,1H3,(H,25,26,27);1-4,6,12-14,23H,5,7-11H2,(H,25,26,27);1-5,7,13-14,23H,6,8-12H2,(H,25,26,27);1-2,9-12,21H,3-8H2,(H,22,25)(H,23,24,26).

What are the key properties of [2-[2-(1H-imidazol-5-yl)ethylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-[2-(4-methoxyphenyl)ethylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-[(4-methylsulfonylphenyl)methylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;piperazin-1-yl-[2-(2-pyridin-2-ylethylamino)thieno[2,3-h]quinazolin-8-yl]methanone;piperazin-1-yl-[2-(2-pyridin-3-ylethylamino)thieno[2,3-h]quinazolin-8-yl]methanone?

[2-[2-(1H-imidazol-5-yl)ethylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-[2-(4-methoxyphenyl)ethylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-[(4-methylsulfonylphenyl)methylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;piperazin-1-yl-[2-(2-pyridin-2-ylethylamino)thieno[2,3-h]quinazolin-8-yl]methanone;piperazin-1-yl-[2-(2-pyridin-3-ylethylamino)thieno[2,3-h]quinazolin-8-yl]methanone has a molecular weight of 2173.72 g/mol, XLogP of 14.61, 26 rotatable bonds, 11 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[2-(1H-imidazol-5-yl)ethylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-[2-(4-methoxyphenyl)ethylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-[(4-methylsulfonylphenyl)methylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;piperazin-1-yl-[2-(2-pyridin-2-ylethylamino)thieno[2,3-h]quinazolin-8-yl]methanone;piperazin-1-yl-[2-(2-pyridin-3-ylethylamino)thieno[2,3-h]quinazolin-8-yl]methanone is sourced from PubChem (CID 157361590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).