[2-(3-tert-butylanilino)thieno[2,3-h]quinazolin-8-yl]-(4-methylpiperazin-1-yl)methanone;[2-(3-tert-butylanilino)thieno[2,3-h]quinazolin-8-yl]-morpholin-4-ylmethanone;tert-butyl N-[1-[2-(3-tert-butylanilino)thieno[2,3-h]quinazoline-8-carbonyl]pyrrolidin-3-yl]carbamate;morpholin-4-yl-[2-(3-phenylanilino)thieno[2,3-h]quinazolin-8-yl]methanone

C108H112N18O8S4 — CID 158590647

About [2-(3-tert-butylanilino)thieno[2,3-h]quinazolin-8-yl]-(4-methylpiperazin-1-yl)methanone;[2-(3-tert-butylanilino)thieno[2,3-h]quinazolin-8-yl]-morpholin-4-ylmethanone;tert-butyl N-[1-[2-(3-tert-butylanilino)thieno[2,3-h]quinazoline-8-carbonyl]pyrrolidin-3-yl]carbamate;morpholin-4-yl-[2-(3-phenylanilino)thieno[2,3-h]quinazolin-8-yl]methanone

[2-(3-tert-butylanilino)thieno[2,3-h]quinazolin-8-yl]-(4-methylpiperazin-1-yl)methanone;[2-(3-tert-butylanilino)thieno[2,3-h]quinazolin-8-yl]-morpholin-4-ylmethanone;tert-butyl N-[1-[2-(3-tert-butylanilino)thieno[2,3-h]quinazoline-8-carbonyl]pyrrolidin-3-yl]carbamate;morpholin-4-yl-[2-(3-phenylanilino)thieno[2,3-h]quinazolin-8-yl]methanone (PubChem CID 158590647) has the molecular formula C108H112N18O8S4 and a molecular weight of 1918.47 g/mol. Its IUPAC name is [2-(3-tert-butylanilino)thieno[2,3-h]quinazolin-8-yl]-(4-methylpiperazin-1-yl)methanone;[2-(3-tert-butylanilino)thieno[2,3-h]quinazolin-8-yl]-morpholin-4-ylmethanone;tert-butyl N-[1-[2-(3-tert-butylanilino)thieno[2,3-h]quinazoline-8-carbonyl]pyrrolidin-3-yl]carbamate;morpholin-4-yl-[2-(3-phenylanilino)thieno[2,3-h]quinazolin-8-yl]methanone.

Molecular Properties

• Compound Name: [2-(3-tert-butylanilino)thieno[2,3-h]quinazolin-8-yl]-(4-methylpiperazin-1-yl)methanone;[2-(3-tert-butylanilino)thieno[2,3-h]quinazolin-8-yl]-morpholin-4-ylmethanone;tert-butyl N-[1-[2-(3-tert-butylanilino)thieno[2,3-h]quinazoline-8-carbonyl]pyrrolidin-3-yl]carbamate;morpholin-4-yl-[2-(3-phenylanilino)thieno[2,3-h]quinazolin-8-yl]methanone
• PubChem CID: 158590647
• Molecular Formula: C108H112N18O8S4
• Molecular Weight: 1918.47 g/mol
• Exact Mass: 1916.78
• IUPAC Name: [2-(3-tert-butylanilino)thieno[2,3-h]quinazolin-8-yl]-(4-methylpiperazin-1-yl)methanone;[2-(3-tert-butylanilino)thieno[2,3-h]quinazolin-8-yl]-morpholin-4-ylmethanone;tert-butyl N-[1-[2-(3-tert-butylanilino)thieno[2,3-h]quinazoline-8-carbonyl]pyrrolidin-3-yl]carbamate;morpholin-4-yl-[2-(3-phenylanilino)thieno[2,3-h]quinazolin-8-yl]methanone
• SMILES: CC(C)(C)OC(=O)NC1CCN(C(=O)c2cc3c(ccc4cnc(Nc5cccc(C(C)(C)C)c5)nc43)s2)C1.CC(C)(C)c1cccc(Nc2ncc3ccc4sc(C(=O)N5CCOCC5)cc4c3n2)c1.CN1CCN(C(=O)c2cc3c(ccc4cnc(Nc5cccc(C(C)(C)C)c5)nc43)s2)CC1.O=C(c1cc2c(ccc3cnc(Nc4cccc(-c5ccccc5)c4)nc32)s1)N1CCOCC1
• InChI: InChI=1S/C30H35N5O3S.C27H22N4O2S.C26H29N5OS.C25H26N4O2S/c1-29(2,3)19-8-7-9-20(14-19)32-27-31-16-18-10-11-23-22(25(18)34-27)15-24(39-23)26(36)35-13-12-21(17-35)33-28(37)38-30(4,5)6;32-26(31-11-13-33-14-12-31)24-16-22-23(34-24)10-9-20-17-28-27(30-25(20)22)29-21-8-4-7-19(15-21)18-5-2-1-3-6-18;1-26(2,3)18-6-5-7-19(14-18)28-25-27-16-17-8-9-21-20(23(17)29-25)15-22(33-21)24(32)31-12-10-30(4)11-13-31;1-25(2,3)17-5-4-6-18(13-17)27-24-26-15-16-7-8-20-19(22(16)28-24)14-21(32-20)23(30)29-9-11-31-12-10-29/h7-11,14-16,21H,12-13,17H2,1-6H3,(H,33,37)(H,31,32,34);1-10,15-17H,11-14H2,(H,28,29,30);5-9,14-16H,10-13H2,1-4H3,(H,27,28,29);4-8,13-15H,9-12H2,1-3H3,(H,26,27,28)
• InChIKey: HUKCIZTZFQMZNN-UHFFFAOYSA-N
• XLogP: 22.98
• TPSA: 292.51 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 25
• Rotatable Bonds: 14
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1918.47
LogP ≤ 5	22.98
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of [2-(3-tert-butylanilino)thieno[2,3-h]quinazolin-8-yl]-(4-methylpiperazin-1-yl)methanone;[2-(3-tert-butylanilino)thieno[2,3-h]quinazolin-8-yl]-morpholin-4-ylmethanone;tert-butyl N-[1-[2-(3-tert-butylanilino)thieno[2,3-h]quinazoline-8-carbonyl]pyrrolidin-3-yl]carbamate;morpholin-4-yl-[2-(3-phenylanilino)thieno[2,3-h]quinazolin-8-yl]methanone?

The IUPAC name of [2-(3-tert-butylanilino)thieno[2,3-h]quinazolin-8-yl]-(4-methylpiperazin-1-yl)methanone;[2-(3-tert-butylanilino)thieno[2,3-h]quinazolin-8-yl]-morpholin-4-ylmethanone;tert-butyl N-[1-[2-(3-tert-butylanilino)thieno[2,3-h]quinazoline-8-carbonyl]pyrrolidin-3-yl]carbamate;morpholin-4-yl-[2-(3-phenylanilino)thieno[2,3-h]quinazolin-8-yl]methanone (CID 158590647) is [2-(3-tert-butylanilino)thieno[2,3-h]quinazolin-8-yl]-(4-methylpiperazin-1-yl)methanone;[2-(3-tert-butylanilino)thieno[2,3-h]quinazolin-8-yl]-morpholin-4-ylmethanone;tert-butyl N-[1-[2-(3-tert-butylanilino)thieno[2,3-h]quinazoline-8-carbonyl]pyrrolidin-3-yl]carbamate;morpholin-4-yl-[2-(3-phenylanilino)thieno[2,3-h]quinazolin-8-yl]methanone.

What is the SMILES notation for [2-(3-tert-butylanilino)thieno[2,3-h]quinazolin-8-yl]-(4-methylpiperazin-1-yl)methanone;[2-(3-tert-butylanilino)thieno[2,3-h]quinazolin-8-yl]-morpholin-4-ylmethanone;tert-butyl N-[1-[2-(3-tert-butylanilino)thieno[2,3-h]quinazoline-8-carbonyl]pyrrolidin-3-yl]carbamate;morpholin-4-yl-[2-(3-phenylanilino)thieno[2,3-h]quinazolin-8-yl]methanone?

The canonical SMILES for [2-(3-tert-butylanilino)thieno[2,3-h]quinazolin-8-yl]-(4-methylpiperazin-1-yl)methanone;[2-(3-tert-butylanilino)thieno[2,3-h]quinazolin-8-yl]-morpholin-4-ylmethanone;tert-butyl N-[1-[2-(3-tert-butylanilino)thieno[2,3-h]quinazoline-8-carbonyl]pyrrolidin-3-yl]carbamate;morpholin-4-yl-[2-(3-phenylanilino)thieno[2,3-h]quinazolin-8-yl]methanone is CC(C)(C)OC(=O)NC1CCN(C(=O)c2cc3c(ccc4cnc(Nc5cccc(C(C)(C)C)c5)nc43)s2)C1.CC(C)(C)c1cccc(Nc2ncc3ccc4sc(C(=O)N5CCOCC5)cc4c3n2)c1.CN1CCN(C(=O)c2cc3c(ccc4cnc(Nc5cccc(C(C)(C)C)c5)nc43)s2)CC1.O=C(c1cc2c(ccc3cnc(Nc4cccc(-c5ccccc5)c4)nc32)s1)N1CCOCC1.

What is the InChIKey of [2-(3-tert-butylanilino)thieno[2,3-h]quinazolin-8-yl]-(4-methylpiperazin-1-yl)methanone;[2-(3-tert-butylanilino)thieno[2,3-h]quinazolin-8-yl]-morpholin-4-ylmethanone;tert-butyl N-[1-[2-(3-tert-butylanilino)thieno[2,3-h]quinazoline-8-carbonyl]pyrrolidin-3-yl]carbamate;morpholin-4-yl-[2-(3-phenylanilino)thieno[2,3-h]quinazolin-8-yl]methanone?

The InChIKey is HUKCIZTZFQMZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N5O3S.C27H22N4O2S.C26H29N5OS.C25H26N4O2S/c1-29(2,3)19-8-7-9-20(14-19)32-27-31-16-18-10-11-23-22(25(18)34-27)15-24(39-23)26(36)35-13-12-21(17-35)33-28(37)38-30(4,5)6;32-26(31-11-13-33-14-12-31)24-16-22-23(34-24)10-9-20-17-28-27(30-25(20)22)29-21-8-4-7-19(15-21)18-5-2-1-3-6-18;1-26(2,3)18-6-5-7-19(14-18)28-25-27-16-17-8-9-21-20(23(17)29-25)15-22(33-21)24(32)31-12-10-30(4)11-13-31;1-25(2,3)17-5-4-6-18(13-17)27-24-26-15-16-7-8-20-19(22(16)28-24)14-21(32-20)23(30)29-9-11-31-12-10-29/h7-11,14-16,21H,12-13,17H2,1-6H3,(H,33,37)(H,31,32,34);1-10,15-17H,11-14H2,(H,28,29,30);5-9,14-16H,10-13H2,1-4H3,(H,27,28,29);4-8,13-15H,9-12H2,1-3H3,(H,26,27,28).

What are the key properties of [2-(3-tert-butylanilino)thieno[2,3-h]quinazolin-8-yl]-(4-methylpiperazin-1-yl)methanone;[2-(3-tert-butylanilino)thieno[2,3-h]quinazolin-8-yl]-morpholin-4-ylmethanone;tert-butyl N-[1-[2-(3-tert-butylanilino)thieno[2,3-h]quinazoline-8-carbonyl]pyrrolidin-3-yl]carbamate;morpholin-4-yl-[2-(3-phenylanilino)thieno[2,3-h]quinazolin-8-yl]methanone?

[2-(3-tert-butylanilino)thieno[2,3-h]quinazolin-8-yl]-(4-methylpiperazin-1-yl)methanone;[2-(3-tert-butylanilino)thieno[2,3-h]quinazolin-8-yl]-morpholin-4-ylmethanone;tert-butyl N-[1-[2-(3-tert-butylanilino)thieno[2,3-h]quinazoline-8-carbonyl]pyrrolidin-3-yl]carbamate;morpholin-4-yl-[2-(3-phenylanilino)thieno[2,3-h]quinazolin-8-yl]methanone has a molecular weight of 1918.47 g/mol, XLogP of 22.98, 14 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(3-tert-butylanilino)thieno[2,3-h]quinazolin-8-yl]-(4-methylpiperazin-1-yl)methanone;[2-(3-tert-butylanilino)thieno[2,3-h]quinazolin-8-yl]-morpholin-4-ylmethanone;tert-butyl N-[1-[2-(3-tert-butylanilino)thieno[2,3-h]quinazoline-8-carbonyl]pyrrolidin-3-yl]carbamate;morpholin-4-yl-[2-(3-phenylanilino)thieno[2,3-h]quinazolin-8-yl]methanone is sourced from PubChem (CID 158590647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).