(3-aminopyrrolidin-1-yl)-[2-(3-phenoxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone;(3-aminopyrrolidin-1-yl)-[2-(3-propan-2-ylanilino)thieno[2,3-h]quinazolin-8-yl]methanone;[2-(3-benzylanilino)thieno[2,3-h]quinazolin-8-yl]-(4-methylpiperazin-1-yl)methanone;[2-(3-benzylanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;(4-methylpiperazin-1-yl)-[2-(3-phenoxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone;[2-(3-phenoxyanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone

C163H148N30O9S6 — CID 161297790

About (3-aminopyrrolidin-1-yl)-[2-(3-phenoxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone;(3-aminopyrrolidin-1-yl)-[2-(3-propan-2-ylanilino)thieno[2,3-h]quinazolin-8-yl]methanone;[2-(3-benzylanilino)thieno[2,3-h]quinazolin-8-yl]-(4-methylpiperazin-1-yl)methanone;[2-(3-benzylanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;(4-methylpiperazin-1-yl)-[2-(3-phenoxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone;[2-(3-phenoxyanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone

(3-aminopyrrolidin-1-yl)-[2-(3-phenoxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone;(3-aminopyrrolidin-1-yl)-[2-(3-propan-2-ylanilino)thieno[2,3-h]quinazolin-8-yl]methanone;[2-(3-benzylanilino)thieno[2,3-h]quinazolin-8-yl]-(4-methylpiperazin-1-yl)methanone;[2-(3-benzylanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;(4-methylpiperazin-1-yl)-[2-(3-phenoxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone;[2-(3-phenoxyanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone (PubChem CID 161297790) has the molecular formula C163H148N30O9S6 and a molecular weight of 2863.58 g/mol. Its IUPAC name is (3-aminopyrrolidin-1-yl)-[2-(3-phenoxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone;(3-aminopyrrolidin-1-yl)-[2-(3-propan-2-ylanilino)thieno[2,3-h]quinazolin-8-yl]methanone;[2-(3-benzylanilino)thieno[2,3-h]quinazolin-8-yl]-(4-methylpiperazin-1-yl)methanone;[2-(3-benzylanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;(4-methylpiperazin-1-yl)-[2-(3-phenoxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone;[2-(3-phenoxyanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone.

Molecular Properties

• Compound Name: (3-aminopyrrolidin-1-yl)-[2-(3-phenoxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone;(3-aminopyrrolidin-1-yl)-[2-(3-propan-2-ylanilino)thieno[2,3-h]quinazolin-8-yl]methanone;[2-(3-benzylanilino)thieno[2,3-h]quinazolin-8-yl]-(4-methylpiperazin-1-yl)methanone;[2-(3-benzylanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;(4-methylpiperazin-1-yl)-[2-(3-phenoxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone;[2-(3-phenoxyanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone
• PubChem CID: 161297790
• Molecular Formula: C163H148N30O9S6
• Molecular Weight: 2863.58 g/mol
• Exact Mass: 2861.04
• IUPAC Name: (3-aminopyrrolidin-1-yl)-[2-(3-phenoxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone;(3-aminopyrrolidin-1-yl)-[2-(3-propan-2-ylanilino)thieno[2,3-h]quinazolin-8-yl]methanone;[2-(3-benzylanilino)thieno[2,3-h]quinazolin-8-yl]-(4-methylpiperazin-1-yl)methanone;[2-(3-benzylanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;(4-methylpiperazin-1-yl)-[2-(3-phenoxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone;[2-(3-phenoxyanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone
• SMILES: CC(C)c1cccc(Nc2ncc3ccc4sc(C(=O)N5CCC(N)C5)cc4c3n2)c1.CN1CCN(C(=O)c2cc3c(ccc4cnc(Nc5cccc(Cc6ccccc6)c5)nc43)s2)CC1.CN1CCN(C(=O)c2cc3c(ccc4cnc(Nc5cccc(Oc6ccccc6)c5)nc43)s2)CC1.NC1CCN(C(=O)c2cc3c(ccc4cnc(Nc5cccc(Oc6ccccc6)c5)nc43)s2)C1.O=C(c1cc2c(ccc3cnc(Nc4cccc(Cc5ccccc5)c4)nc32)s1)N1CCNCC1.O=C(c1cc2c(ccc3cnc(Nc4cccc(Oc5ccccc5)c4)nc32)s1)N1CCNCC1
• InChI: InChI=1S/C29H27N5OS.C28H25N5O2S.C28H25N5OS.2C27H23N5O2S.C24H25N5OS/c1-33-12-14-34(15-13-33)28(35)26-18-24-25(36-26)11-10-22-19-30-29(32-27(22)24)31-23-9-5-8-21(17-23)16-20-6-3-2-4-7-20;1-32-12-14-33(15-13-32)27(34)25-17-23-24(36-25)11-10-19-18-29-28(31-26(19)23)30-20-6-5-9-22(16-20)35-21-7-3-2-4-8-21;34-27(33-13-11-29-12-14-33)25-17-23-24(35-25)10-9-21-18-30-28(32-26(21)23)31-22-8-4-7-20(16-22)15-19-5-2-1-3-6-19;33-26(32-13-11-28-12-14-32)24-16-22-23(35-24)10-9-18-17-29-27(31-25(18)22)30-19-5-4-8-21(15-19)34-20-6-2-1-3-7-20;28-18-11-12-32(16-18)26(33)24-14-22-23(35-24)10-9-17-15-29-27(31-25(17)22)30-19-5-4-8-21(13-19)34-20-6-2-1-3-7-20;1-14(2)15-4-3-5-18(10-15)27-24-26-12-16-6-7-20-19(22(16)28-24)11-21(31-20)23(30)29-9-8-17(25)13-29/h2-11,17-19H,12-16H2,1H3,(H,30,31,32);2-11,16-18H,12-15H2,1H3,(H,29,30,31);1-10,16-18,29H,11-15H2,(H,30,31,32);1-10,15-17,28H,11-14H2,(H,29,30,31);1-10,13-15,18H,11-12,16,28H2,(H,29,30,31);3-7,10-12,14,17H,8-9,13,25H2,1-2H3,(H,26,27,28)
• InChIKey: VHEYIUKKJDZIQY-UHFFFAOYSA-N
• XLogP: 32.42
• TPSA: 458.99 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 39
• Rotatable Bonds: 29
• Heavy Atoms: 208
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2863.58
LogP ≤ 5	32.42
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

What is the IUPAC name of (3-aminopyrrolidin-1-yl)-[2-(3-phenoxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone;(3-aminopyrrolidin-1-yl)-[2-(3-propan-2-ylanilino)thieno[2,3-h]quinazolin-8-yl]methanone;[2-(3-benzylanilino)thieno[2,3-h]quinazolin-8-yl]-(4-methylpiperazin-1-yl)methanone;[2-(3-benzylanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;(4-methylpiperazin-1-yl)-[2-(3-phenoxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone;[2-(3-phenoxyanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone?

The IUPAC name of (3-aminopyrrolidin-1-yl)-[2-(3-phenoxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone;(3-aminopyrrolidin-1-yl)-[2-(3-propan-2-ylanilino)thieno[2,3-h]quinazolin-8-yl]methanone;[2-(3-benzylanilino)thieno[2,3-h]quinazolin-8-yl]-(4-methylpiperazin-1-yl)methanone;[2-(3-benzylanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;(4-methylpiperazin-1-yl)-[2-(3-phenoxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone;[2-(3-phenoxyanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone (CID 161297790) is (3-aminopyrrolidin-1-yl)-[2-(3-phenoxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone;(3-aminopyrrolidin-1-yl)-[2-(3-propan-2-ylanilino)thieno[2,3-h]quinazolin-8-yl]methanone;[2-(3-benzylanilino)thieno[2,3-h]quinazolin-8-yl]-(4-methylpiperazin-1-yl)methanone;[2-(3-benzylanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;(4-methylpiperazin-1-yl)-[2-(3-phenoxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone;[2-(3-phenoxyanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone.

What is the SMILES notation for (3-aminopyrrolidin-1-yl)-[2-(3-phenoxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone;(3-aminopyrrolidin-1-yl)-[2-(3-propan-2-ylanilino)thieno[2,3-h]quinazolin-8-yl]methanone;[2-(3-benzylanilino)thieno[2,3-h]quinazolin-8-yl]-(4-methylpiperazin-1-yl)methanone;[2-(3-benzylanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;(4-methylpiperazin-1-yl)-[2-(3-phenoxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone;[2-(3-phenoxyanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone?

The canonical SMILES for (3-aminopyrrolidin-1-yl)-[2-(3-phenoxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone;(3-aminopyrrolidin-1-yl)-[2-(3-propan-2-ylanilino)thieno[2,3-h]quinazolin-8-yl]methanone;[2-(3-benzylanilino)thieno[2,3-h]quinazolin-8-yl]-(4-methylpiperazin-1-yl)methanone;[2-(3-benzylanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;(4-methylpiperazin-1-yl)-[2-(3-phenoxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone;[2-(3-phenoxyanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone is CC(C)c1cccc(Nc2ncc3ccc4sc(C(=O)N5CCC(N)C5)cc4c3n2)c1.CN1CCN(C(=O)c2cc3c(ccc4cnc(Nc5cccc(Cc6ccccc6)c5)nc43)s2)CC1.CN1CCN(C(=O)c2cc3c(ccc4cnc(Nc5cccc(Oc6ccccc6)c5)nc43)s2)CC1.NC1CCN(C(=O)c2cc3c(ccc4cnc(Nc5cccc(Oc6ccccc6)c5)nc43)s2)C1.O=C(c1cc2c(ccc3cnc(Nc4cccc(Cc5ccccc5)c4)nc32)s1)N1CCNCC1.O=C(c1cc2c(ccc3cnc(Nc4cccc(Oc5ccccc5)c4)nc32)s1)N1CCNCC1.

What is the InChIKey of (3-aminopyrrolidin-1-yl)-[2-(3-phenoxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone;(3-aminopyrrolidin-1-yl)-[2-(3-propan-2-ylanilino)thieno[2,3-h]quinazolin-8-yl]methanone;[2-(3-benzylanilino)thieno[2,3-h]quinazolin-8-yl]-(4-methylpiperazin-1-yl)methanone;[2-(3-benzylanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;(4-methylpiperazin-1-yl)-[2-(3-phenoxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone;[2-(3-phenoxyanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone?

The InChIKey is VHEYIUKKJDZIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N5OS.C28H25N5O2S.C28H25N5OS.2C27H23N5O2S.C24H25N5OS/c1-33-12-14-34(15-13-33)28(35)26-18-24-25(36-26)11-10-22-19-30-29(32-27(22)24)31-23-9-5-8-21(17-23)16-20-6-3-2-4-7-20;1-32-12-14-33(15-13-32)27(34)25-17-23-24(36-25)11-10-19-18-29-28(31-26(19)23)30-20-6-5-9-22(16-20)35-21-7-3-2-4-8-21;34-27(33-13-11-29-12-14-33)25-17-23-24(35-25)10-9-21-18-30-28(32-26(21)23)31-22-8-4-7-20(16-22)15-19-5-2-1-3-6-19;33-26(32-13-11-28-12-14-32)24-16-22-23(35-24)10-9-18-17-29-27(31-25(18)22)30-19-5-4-8-21(15-19)34-20-6-2-1-3-7-20;28-18-11-12-32(16-18)26(33)24-14-22-23(35-24)10-9-17-15-29-27(31-25(17)22)30-19-5-4-8-21(13-19)34-20-6-2-1-3-7-20;1-14(2)15-4-3-5-18(10-15)27-24-26-12-16-6-7-20-19(22(16)28-24)11-21(31-20)23(30)29-9-8-17(25)13-29/h2-11,17-19H,12-16H2,1H3,(H,30,31,32);2-11,16-18H,12-15H2,1H3,(H,29,30,31);1-10,16-18,29H,11-15H2,(H,30,31,32);1-10,15-17,28H,11-14H2,(H,29,30,31);1-10,13-15,18H,11-12,16,28H2,(H,29,30,31);3-7,10-12,14,17H,8-9,13,25H2,1-2H3,(H,26,27,28).

What are the key properties of (3-aminopyrrolidin-1-yl)-[2-(3-phenoxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone;(3-aminopyrrolidin-1-yl)-[2-(3-propan-2-ylanilino)thieno[2,3-h]quinazolin-8-yl]methanone;[2-(3-benzylanilino)thieno[2,3-h]quinazolin-8-yl]-(4-methylpiperazin-1-yl)methanone;[2-(3-benzylanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;(4-methylpiperazin-1-yl)-[2-(3-phenoxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone;[2-(3-phenoxyanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone?

(3-aminopyrrolidin-1-yl)-[2-(3-phenoxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone;(3-aminopyrrolidin-1-yl)-[2-(3-propan-2-ylanilino)thieno[2,3-h]quinazolin-8-yl]methanone;[2-(3-benzylanilino)thieno[2,3-h]quinazolin-8-yl]-(4-methylpiperazin-1-yl)methanone;[2-(3-benzylanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;(4-methylpiperazin-1-yl)-[2-(3-phenoxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone;[2-(3-phenoxyanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone has a molecular weight of 2863.58 g/mol, XLogP of 32.42, 29 rotatable bonds, 10 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for (3-aminopyrrolidin-1-yl)-[2-(3-phenoxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone;(3-aminopyrrolidin-1-yl)-[2-(3-propan-2-ylanilino)thieno[2,3-h]quinazolin-8-yl]methanone;[2-(3-benzylanilino)thieno[2,3-h]quinazolin-8-yl]-(4-methylpiperazin-1-yl)methanone;[2-(3-benzylanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;(4-methylpiperazin-1-yl)-[2-(3-phenoxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone;[2-(3-phenoxyanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 161297790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).