4-tert-butyl-N-[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]benzamide;4-(dimethylamino)-N-[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]benzamide;3-[[8-[2-(hydroxymethyl)phenyl]-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;N-[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]benzamide;N-[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]cyclopropanecarboxamide

C122H109N17O11S6 — CID 159514050

About 4-tert-butyl-N-[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]benzamide;4-(dimethylamino)-N-[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]benzamide;3-[[8-[2-(hydroxymethyl)phenyl]-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;N-[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]benzamide;N-[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]cyclopropanecarboxamide

4-tert-butyl-N-[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]benzamide;4-(dimethylamino)-N-[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]benzamide;3-[[8-[2-(hydroxymethyl)phenyl]-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;N-[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]benzamide;N-[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]cyclopropanecarboxamide (PubChem CID 159514050) has the molecular formula C122H109N17O11S6 and a molecular weight of 2181.72 g/mol. Its IUPAC name is 4-tert-butyl-N-[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]benzamide;4-(dimethylamino)-N-[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]benzamide;3-[[8-[2-(hydroxymethyl)phenyl]-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;N-[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]benzamide;N-[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: 4-tert-butyl-N-[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]benzamide;4-(dimethylamino)-N-[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]benzamide;3-[[8-[2-(hydroxymethyl)phenyl]-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;N-[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]benzamide;N-[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]cyclopropanecarboxamide
• PubChem CID: 159514050
• Molecular Formula: C122H109N17O11S6
• Molecular Weight: 2181.72 g/mol
• Exact Mass: 2179.68
• IUPAC Name: 4-tert-butyl-N-[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]benzamide;4-(dimethylamino)-N-[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]benzamide;3-[[8-[2-(hydroxymethyl)phenyl]-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;N-[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]benzamide;N-[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]cyclopropanecarboxamide
• SMILES: COc1cccc(-c2cc3c(s2)CCc2cnc(NC(=O)C4CC4)nc2-3)c1.COc1cccc(-c2cc3c(s2)CCc2cnc(NC(=O)c4ccc(C(C)(C)C)cc4)nc2-3)c1.COc1cccc(-c2cc3c(s2)CCc2cnc(NC(=O)c4ccc(N(C)C)cc4)nc2-3)c1.COc1cccc(-c2cc3c(s2)CCc2cnc(NC(=O)c4ccccc4)nc2-3)c1.NS(=O)(=O)c1cccc(Nc2ncc3c(n2)-c2cc(-c4ccccc4CO)sc2CC3)c1
• InChI: InChI=1S/C28H27N3O2S.C26H24N4O2S.C24H19N3O2S.C23H20N4O3S2.C21H19N3O2S/c1-28(2,3)20-11-8-17(9-12-20)26(32)31-27-29-16-19-10-13-23-22(25(19)30-27)15-24(34-23)18-6-5-7-21(14-18)33-4;1-30(2)19-10-7-16(8-11-19)25(31)29-26-27-15-18-9-12-22-21(24(18)28-26)14-23(33-22)17-5-4-6-20(13-17)32-3;1-29-18-9-5-8-16(12-18)21-13-19-20(30-21)11-10-17-14-25-24(26-22(17)19)27-23(28)15-6-3-2-4-7-15;24-32(29,30)17-6-3-5-16(10-17)26-23-25-12-14-8-9-20-19(22(14)27-23)11-21(31-20)18-7-2-1-4-15(18)13-28;1-26-15-4-2-3-13(9-15)18-10-16-17(27-18)8-7-14-11-22-21(23-19(14)16)24-20(25)12-5-6-12/h5-9,11-12,14-16H,10,13H2,1-4H3,(H,29,30,31,32);4-8,10-11,13-15H,9,12H2,1-3H3,(H,27,28,29,31);2-9,12-14H,10-11H2,1H3,(H,25,26,27,28);1-7,10-12,28H,8-9,13H2,(H2,24,29,30)(H,25,26,27);2-4,9-12H,5-8H2,1H3,(H,22,23,24,25)
• InChIKey: MAYMDTSENDQQPB-UHFFFAOYSA-N
• XLogP: 25.24
• TPSA: 377.88 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 28
• Rotatable Bonds: 22
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2181.72
LogP ≤ 5	25.24
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]benzamide;4-(dimethylamino)-N-[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]benzamide;3-[[8-[2-(hydroxymethyl)phenyl]-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;N-[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]benzamide;N-[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]cyclopropanecarboxamide?

The IUPAC name of 4-tert-butyl-N-[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]benzamide;4-(dimethylamino)-N-[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]benzamide;3-[[8-[2-(hydroxymethyl)phenyl]-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;N-[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]benzamide;N-[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]cyclopropanecarboxamide (CID 159514050) is 4-tert-butyl-N-[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]benzamide;4-(dimethylamino)-N-[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]benzamide;3-[[8-[2-(hydroxymethyl)phenyl]-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;N-[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]benzamide;N-[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]cyclopropanecarboxamide.

What is the SMILES notation for 4-tert-butyl-N-[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]benzamide;4-(dimethylamino)-N-[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]benzamide;3-[[8-[2-(hydroxymethyl)phenyl]-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;N-[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]benzamide;N-[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]cyclopropanecarboxamide?

The canonical SMILES for 4-tert-butyl-N-[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]benzamide;4-(dimethylamino)-N-[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]benzamide;3-[[8-[2-(hydroxymethyl)phenyl]-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;N-[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]benzamide;N-[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]cyclopropanecarboxamide is COc1cccc(-c2cc3c(s2)CCc2cnc(NC(=O)C4CC4)nc2-3)c1.COc1cccc(-c2cc3c(s2)CCc2cnc(NC(=O)c4ccc(C(C)(C)C)cc4)nc2-3)c1.COc1cccc(-c2cc3c(s2)CCc2cnc(NC(=O)c4ccc(N(C)C)cc4)nc2-3)c1.COc1cccc(-c2cc3c(s2)CCc2cnc(NC(=O)c4ccccc4)nc2-3)c1.NS(=O)(=O)c1cccc(Nc2ncc3c(n2)-c2cc(-c4ccccc4CO)sc2CC3)c1.

What is the InChIKey of 4-tert-butyl-N-[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]benzamide;4-(dimethylamino)-N-[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]benzamide;3-[[8-[2-(hydroxymethyl)phenyl]-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;N-[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]benzamide;N-[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]cyclopropanecarboxamide?

The InChIKey is MAYMDTSENDQQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O2S.C26H24N4O2S.C24H19N3O2S.C23H20N4O3S2.C21H19N3O2S/c1-28(2,3)20-11-8-17(9-12-20)26(32)31-27-29-16-19-10-13-23-22(25(19)30-27)15-24(34-23)18-6-5-7-21(14-18)33-4;1-30(2)19-10-7-16(8-11-19)25(31)29-26-27-15-18-9-12-22-21(24(18)28-26)14-23(33-22)17-5-4-6-20(13-17)32-3;1-29-18-9-5-8-16(12-18)21-13-19-20(30-21)11-10-17-14-25-24(26-22(17)19)27-23(28)15-6-3-2-4-7-15;24-32(29,30)17-6-3-5-16(10-17)26-23-25-12-14-8-9-20-19(22(14)27-23)11-21(31-20)18-7-2-1-4-15(18)13-28;1-26-15-4-2-3-13(9-15)18-10-16-17(27-18)8-7-14-11-22-21(23-19(14)16)24-20(25)12-5-6-12/h5-9,11-12,14-16H,10,13H2,1-4H3,(H,29,30,31,32);4-8,10-11,13-15H,9,12H2,1-3H3,(H,27,28,29,31);2-9,12-14H,10-11H2,1H3,(H,25,26,27,28);1-7,10-12,28H,8-9,13H2,(H2,24,29,30)(H,25,26,27);2-4,9-12H,5-8H2,1H3,(H,22,23,24,25).

What are the key properties of 4-tert-butyl-N-[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]benzamide;4-(dimethylamino)-N-[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]benzamide;3-[[8-[2-(hydroxymethyl)phenyl]-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;N-[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]benzamide;N-[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]cyclopropanecarboxamide?

4-tert-butyl-N-[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]benzamide;4-(dimethylamino)-N-[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]benzamide;3-[[8-[2-(hydroxymethyl)phenyl]-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;N-[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]benzamide;N-[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]cyclopropanecarboxamide has a molecular weight of 2181.72 g/mol, XLogP of 25.24, 22 rotatable bonds, 7 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-N-[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]benzamide;4-(dimethylamino)-N-[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]benzamide;3-[[8-[2-(hydroxymethyl)phenyl]-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;N-[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]benzamide;N-[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 159514050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).