[2-[3-(2,6-dimethylphenyl)anilino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-[3-(3-methylthiophen-2-yl)anilino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-[3-(4-methylthiophen-3-yl)anilino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;piperazin-1-yl-[2-(3-pyridin-3-ylanilino)thieno[2,3-h]quinazolin-8-yl]methanone;piperazin-1-yl-[2-(3-pyridin-4-ylanilino)thieno[2,3-h]quinazolin-8-yl]methanone

C133H117N27O5S7 — CID 158210120

About [2-[3-(2,6-dimethylphenyl)anilino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-[3-(3-methylthiophen-2-yl)anilino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-[3-(4-methylthiophen-3-yl)anilino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;piperazin-1-yl-[2-(3-pyridin-3-ylanilino)thieno[2,3-h]quinazolin-8-yl]methanone;piperazin-1-yl-[2-(3-pyridin-4-ylanilino)thieno[2,3-h]quinazolin-8-yl]methanone

[2-[3-(2,6-dimethylphenyl)anilino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-[3-(3-methylthiophen-2-yl)anilino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-[3-(4-methylthiophen-3-yl)anilino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;piperazin-1-yl-[2-(3-pyridin-3-ylanilino)thieno[2,3-h]quinazolin-8-yl]methanone;piperazin-1-yl-[2-(3-pyridin-4-ylanilino)thieno[2,3-h]quinazolin-8-yl]methanone (PubChem CID 158210120) has the molecular formula C133H117N27O5S7 and a molecular weight of 2398.05 g/mol. Its IUPAC name is [2-[3-(2,6-dimethylphenyl)anilino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-[3-(3-methylthiophen-2-yl)anilino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-[3-(4-methylthiophen-3-yl)anilino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;piperazin-1-yl-[2-(3-pyridin-3-ylanilino)thieno[2,3-h]quinazolin-8-yl]methanone;piperazin-1-yl-[2-(3-pyridin-4-ylanilino)thieno[2,3-h]quinazolin-8-yl]methanone.

Molecular Properties

• Compound Name: [2-[3-(2,6-dimethylphenyl)anilino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-[3-(3-methylthiophen-2-yl)anilino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-[3-(4-methylthiophen-3-yl)anilino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;piperazin-1-yl-[2-(3-pyridin-3-ylanilino)thieno[2,3-h]quinazolin-8-yl]methanone;piperazin-1-yl-[2-(3-pyridin-4-ylanilino)thieno[2,3-h]quinazolin-8-yl]methanone
• PubChem CID: 158210120
• Molecular Formula: C133H117N27O5S7
• Molecular Weight: 2398.05 g/mol
• Exact Mass: 2395.78
• IUPAC Name: [2-[3-(2,6-dimethylphenyl)anilino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-[3-(3-methylthiophen-2-yl)anilino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-[3-(4-methylthiophen-3-yl)anilino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;piperazin-1-yl-[2-(3-pyridin-3-ylanilino)thieno[2,3-h]quinazolin-8-yl]methanone;piperazin-1-yl-[2-(3-pyridin-4-ylanilino)thieno[2,3-h]quinazolin-8-yl]methanone
• SMILES: Cc1cccc(C)c1-c1cccc(Nc2ncc3ccc4sc(C(=O)N5CCNCC5)cc4c3n2)c1.Cc1ccsc1-c1cccc(Nc2ncc3ccc4sc(C(=O)N5CCNCC5)cc4c3n2)c1.Cc1cscc1-c1cccc(Nc2ncc3ccc4sc(C(=O)N5CCNCC5)cc4c3n2)c1.O=C(c1cc2c(ccc3cnc(Nc4cccc(-c5cccnc5)c4)nc32)s1)N1CCNCC1.O=C(c1cc2c(ccc3cnc(Nc4cccc(-c5ccncc5)c4)nc32)s1)N1CCNCC1
• InChI: InChI=1S/C29H27N5OS.2C26H22N6OS.2C26H23N5OS2/c1-18-5-3-6-19(2)26(18)20-7-4-8-22(15-20)32-29-31-17-21-9-10-24-23(27(21)33-29)16-25(36-24)28(35)34-13-11-30-12-14-34;33-25(32-11-9-27-10-12-32)23-14-21-22(34-23)7-6-19-16-29-26(31-24(19)21)30-20-5-1-3-17(13-20)18-4-2-8-28-15-18;33-25(32-12-10-28-11-13-32)23-15-21-22(34-23)5-4-19-16-29-26(31-24(19)21)30-20-3-1-2-18(14-20)17-6-8-27-9-7-17;1-16-7-12-33-24(16)17-3-2-4-19(13-17)29-26-28-15-18-5-6-21-20(23(18)30-26)14-22(34-21)25(32)31-10-8-27-9-11-31;1-16-14-33-15-21(16)17-3-2-4-19(11-17)29-26-28-13-18-5-6-22-20(24(18)30-26)12-23(34-22)25(32)31-9-7-27-8-10-31/h3-10,15-17,30H,11-14H2,1-2H3,(H,31,32,33);1-8,13-16,27H,9-12H2,(H,29,30,31);1-9,14-16,28H,10-13H2,(H,29,30,31);2-7,12-15,27H,8-11H2,1H3,(H,28,29,30);2-6,11-15,27H,7-10H2,1H3,(H,28,29,30)
• InChIKey: GBYWROVRESZFAF-UHFFFAOYSA-N
• XLogP: 26.65
• TPSA: 376.53 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 34
• Rotatable Bonds: 20
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2398.05
LogP ≤ 5	26.65
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of [2-[3-(2,6-dimethylphenyl)anilino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-[3-(3-methylthiophen-2-yl)anilino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-[3-(4-methylthiophen-3-yl)anilino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;piperazin-1-yl-[2-(3-pyridin-3-ylanilino)thieno[2,3-h]quinazolin-8-yl]methanone;piperazin-1-yl-[2-(3-pyridin-4-ylanilino)thieno[2,3-h]quinazolin-8-yl]methanone?

The IUPAC name of [2-[3-(2,6-dimethylphenyl)anilino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-[3-(3-methylthiophen-2-yl)anilino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-[3-(4-methylthiophen-3-yl)anilino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;piperazin-1-yl-[2-(3-pyridin-3-ylanilino)thieno[2,3-h]quinazolin-8-yl]methanone;piperazin-1-yl-[2-(3-pyridin-4-ylanilino)thieno[2,3-h]quinazolin-8-yl]methanone (CID 158210120) is [2-[3-(2,6-dimethylphenyl)anilino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-[3-(3-methylthiophen-2-yl)anilino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-[3-(4-methylthiophen-3-yl)anilino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;piperazin-1-yl-[2-(3-pyridin-3-ylanilino)thieno[2,3-h]quinazolin-8-yl]methanone;piperazin-1-yl-[2-(3-pyridin-4-ylanilino)thieno[2,3-h]quinazolin-8-yl]methanone.

What is the SMILES notation for [2-[3-(2,6-dimethylphenyl)anilino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-[3-(3-methylthiophen-2-yl)anilino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-[3-(4-methylthiophen-3-yl)anilino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;piperazin-1-yl-[2-(3-pyridin-3-ylanilino)thieno[2,3-h]quinazolin-8-yl]methanone;piperazin-1-yl-[2-(3-pyridin-4-ylanilino)thieno[2,3-h]quinazolin-8-yl]methanone?

The canonical SMILES for [2-[3-(2,6-dimethylphenyl)anilino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-[3-(3-methylthiophen-2-yl)anilino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-[3-(4-methylthiophen-3-yl)anilino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;piperazin-1-yl-[2-(3-pyridin-3-ylanilino)thieno[2,3-h]quinazolin-8-yl]methanone;piperazin-1-yl-[2-(3-pyridin-4-ylanilino)thieno[2,3-h]quinazolin-8-yl]methanone is Cc1cccc(C)c1-c1cccc(Nc2ncc3ccc4sc(C(=O)N5CCNCC5)cc4c3n2)c1.Cc1ccsc1-c1cccc(Nc2ncc3ccc4sc(C(=O)N5CCNCC5)cc4c3n2)c1.Cc1cscc1-c1cccc(Nc2ncc3ccc4sc(C(=O)N5CCNCC5)cc4c3n2)c1.O=C(c1cc2c(ccc3cnc(Nc4cccc(-c5cccnc5)c4)nc32)s1)N1CCNCC1.O=C(c1cc2c(ccc3cnc(Nc4cccc(-c5ccncc5)c4)nc32)s1)N1CCNCC1.

What is the InChIKey of [2-[3-(2,6-dimethylphenyl)anilino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-[3-(3-methylthiophen-2-yl)anilino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-[3-(4-methylthiophen-3-yl)anilino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;piperazin-1-yl-[2-(3-pyridin-3-ylanilino)thieno[2,3-h]quinazolin-8-yl]methanone;piperazin-1-yl-[2-(3-pyridin-4-ylanilino)thieno[2,3-h]quinazolin-8-yl]methanone?

The InChIKey is GBYWROVRESZFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N5OS.2C26H22N6OS.2C26H23N5OS2/c1-18-5-3-6-19(2)26(18)20-7-4-8-22(15-20)32-29-31-17-21-9-10-24-23(27(21)33-29)16-25(36-24)28(35)34-13-11-30-12-14-34;33-25(32-11-9-27-10-12-32)23-14-21-22(34-23)7-6-19-16-29-26(31-24(19)21)30-20-5-1-3-17(13-20)18-4-2-8-28-15-18;33-25(32-12-10-28-11-13-32)23-15-21-22(34-23)5-4-19-16-29-26(31-24(19)21)30-20-3-1-2-18(14-20)17-6-8-27-9-7-17;1-16-7-12-33-24(16)17-3-2-4-19(13-17)29-26-28-15-18-5-6-21-20(23(18)30-26)14-22(34-21)25(32)31-10-8-27-9-11-31;1-16-14-33-15-21(16)17-3-2-4-19(11-17)29-26-28-13-18-5-6-22-20(24(18)30-26)12-23(34-22)25(32)31-9-7-27-8-10-31/h3-10,15-17,30H,11-14H2,1-2H3,(H,31,32,33);1-8,13-16,27H,9-12H2,(H,29,30,31);1-9,14-16,28H,10-13H2,(H,29,30,31);2-7,12-15,27H,8-11H2,1H3,(H,28,29,30);2-6,11-15,27H,7-10H2,1H3,(H,28,29,30).

What are the key properties of [2-[3-(2,6-dimethylphenyl)anilino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-[3-(3-methylthiophen-2-yl)anilino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-[3-(4-methylthiophen-3-yl)anilino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;piperazin-1-yl-[2-(3-pyridin-3-ylanilino)thieno[2,3-h]quinazolin-8-yl]methanone;piperazin-1-yl-[2-(3-pyridin-4-ylanilino)thieno[2,3-h]quinazolin-8-yl]methanone?

[2-[3-(2,6-dimethylphenyl)anilino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-[3-(3-methylthiophen-2-yl)anilino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-[3-(4-methylthiophen-3-yl)anilino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;piperazin-1-yl-[2-(3-pyridin-3-ylanilino)thieno[2,3-h]quinazolin-8-yl]methanone;piperazin-1-yl-[2-(3-pyridin-4-ylanilino)thieno[2,3-h]quinazolin-8-yl]methanone has a molecular weight of 2398.05 g/mol, XLogP of 26.65, 20 rotatable bonds, 10 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[3-(2,6-dimethylphenyl)anilino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-[3-(3-methylthiophen-2-yl)anilino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-[3-(4-methylthiophen-3-yl)anilino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;piperazin-1-yl-[2-(3-pyridin-3-ylanilino)thieno[2,3-h]quinazolin-8-yl]methanone;piperazin-1-yl-[2-(3-pyridin-4-ylanilino)thieno[2,3-h]quinazolin-8-yl]methanone is sourced from PubChem (CID 158210120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).