(3-aminopyrrolidin-1-yl)-[2-(3-propan-2-yloxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone;2-(3-tert-butylanilino)-N,N-dimethylthieno[2,3-h]quinazoline-8-carboxamide;1-[4-[2-(3-tert-butylanilino)thieno[2,3-h]quinazoline-8-carbonyl]-1,4-diazepan-1-yl]ethanone;1-[4-[2-(3-tert-butylanilino)thieno[2,3-h]quinazoline-8-carbonyl]piperazin-1-yl]ethanone;piperazin-1-yl-[2-(3-propan-2-yloxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone

C126H134N24O9S5 — CID 159196251

About (3-aminopyrrolidin-1-yl)-[2-(3-propan-2-yloxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone;2-(3-tert-butylanilino)-N,N-dimethylthieno[2,3-h]quinazoline-8-carboxamide;1-[4-[2-(3-tert-butylanilino)thieno[2,3-h]quinazoline-8-carbonyl]-1,4-diazepan-1-yl]ethanone;1-[4-[2-(3-tert-butylanilino)thieno[2,3-h]quinazoline-8-carbonyl]piperazin-1-yl]ethanone;piperazin-1-yl-[2-(3-propan-2-yloxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone

(3-aminopyrrolidin-1-yl)-[2-(3-propan-2-yloxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone;2-(3-tert-butylanilino)-N,N-dimethylthieno[2,3-h]quinazoline-8-carboxamide;1-[4-[2-(3-tert-butylanilino)thieno[2,3-h]quinazoline-8-carbonyl]-1,4-diazepan-1-yl]ethanone;1-[4-[2-(3-tert-butylanilino)thieno[2,3-h]quinazoline-8-carbonyl]piperazin-1-yl]ethanone;piperazin-1-yl-[2-(3-propan-2-yloxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone (PubChem CID 159196251) has the molecular formula C126H134N24O9S5 and a molecular weight of 2288.95 g/mol. Its IUPAC name is (3-aminopyrrolidin-1-yl)-[2-(3-propan-2-yloxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone;2-(3-tert-butylanilino)-N,N-dimethylthieno[2,3-h]quinazoline-8-carboxamide;1-[4-[2-(3-tert-butylanilino)thieno[2,3-h]quinazoline-8-carbonyl]-1,4-diazepan-1-yl]ethanone;1-[4-[2-(3-tert-butylanilino)thieno[2,3-h]quinazoline-8-carbonyl]piperazin-1-yl]ethanone;piperazin-1-yl-[2-(3-propan-2-yloxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone.

Molecular Properties

• Compound Name: (3-aminopyrrolidin-1-yl)-[2-(3-propan-2-yloxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone;2-(3-tert-butylanilino)-N,N-dimethylthieno[2,3-h]quinazoline-8-carboxamide;1-[4-[2-(3-tert-butylanilino)thieno[2,3-h]quinazoline-8-carbonyl]-1,4-diazepan-1-yl]ethanone;1-[4-[2-(3-tert-butylanilino)thieno[2,3-h]quinazoline-8-carbonyl]piperazin-1-yl]ethanone;piperazin-1-yl-[2-(3-propan-2-yloxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone
• PubChem CID: 159196251
• Molecular Formula: C126H134N24O9S5
• Molecular Weight: 2288.95 g/mol
• Exact Mass: 2286.94
• IUPAC Name: (3-aminopyrrolidin-1-yl)-[2-(3-propan-2-yloxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone;2-(3-tert-butylanilino)-N,N-dimethylthieno[2,3-h]quinazoline-8-carboxamide;1-[4-[2-(3-tert-butylanilino)thieno[2,3-h]quinazoline-8-carbonyl]-1,4-diazepan-1-yl]ethanone;1-[4-[2-(3-tert-butylanilino)thieno[2,3-h]quinazoline-8-carbonyl]piperazin-1-yl]ethanone;piperazin-1-yl-[2-(3-propan-2-yloxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone
• SMILES: CC(=O)N1CCCN(C(=O)c2cc3c(ccc4cnc(Nc5cccc(C(C)(C)C)c5)nc43)s2)CC1.CC(=O)N1CCN(C(=O)c2cc3c(ccc4cnc(Nc5cccc(C(C)(C)C)c5)nc43)s2)CC1.CC(C)Oc1cccc(Nc2ncc3ccc4sc(C(=O)N5CCC(N)C5)cc4c3n2)c1.CC(C)Oc1cccc(Nc2ncc3ccc4sc(C(=O)N5CCNCC5)cc4c3n2)c1.CN(C)C(=O)c1cc2c(ccc3cnc(Nc4cccc(C(C)(C)C)c4)nc32)s1
• InChI: InChI=1S/C28H31N5O2S.C27H29N5O2S.2C24H25N5O2S.C23H24N4OS/c1-18(34)32-11-6-12-33(14-13-32)26(35)24-16-22-23(36-24)10-9-19-17-29-27(31-25(19)22)30-21-8-5-7-20(15-21)28(2,3)4;1-17(33)31-10-12-32(13-11-31)25(34)23-15-21-22(35-23)9-8-18-16-28-26(30-24(18)21)29-20-7-5-6-19(14-20)27(2,3)4;1-15(2)31-18-5-3-4-17(12-18)27-24-26-14-16-6-7-20-19(22(16)28-24)13-21(32-20)23(30)29-10-8-25-9-11-29;1-14(2)31-18-5-3-4-17(10-18)27-24-26-12-15-6-7-20-19(22(15)28-24)11-21(32-20)23(30)29-9-8-16(25)13-29;1-23(2,3)15-7-6-8-16(11-15)25-22-24-13-14-9-10-18-17(20(14)26-22)12-19(29-18)21(28)27(4)5/h5,7-10,15-17H,6,11-14H2,1-4H3,(H,29,30,31);5-9,14-16H,10-13H2,1-4H3,(H,28,29,30);3-7,12-15,25H,8-11H2,1-2H3,(H,26,27,28);3-7,10-12,14,16H,8-9,13,25H2,1-2H3,(H,26,27,28);6-13H,1-5H3,(H,24,25,26)
• InChIKey: KORTZVSDQWZEOB-UHFFFAOYSA-N
• XLogP: 25.33
• TPSA: 387.73 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 31
• Rotatable Bonds: 19
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2288.95
LogP ≤ 5	25.33
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of (3-aminopyrrolidin-1-yl)-[2-(3-propan-2-yloxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone;2-(3-tert-butylanilino)-N,N-dimethylthieno[2,3-h]quinazoline-8-carboxamide;1-[4-[2-(3-tert-butylanilino)thieno[2,3-h]quinazoline-8-carbonyl]-1,4-diazepan-1-yl]ethanone;1-[4-[2-(3-tert-butylanilino)thieno[2,3-h]quinazoline-8-carbonyl]piperazin-1-yl]ethanone;piperazin-1-yl-[2-(3-propan-2-yloxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone?

The IUPAC name of (3-aminopyrrolidin-1-yl)-[2-(3-propan-2-yloxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone;2-(3-tert-butylanilino)-N,N-dimethylthieno[2,3-h]quinazoline-8-carboxamide;1-[4-[2-(3-tert-butylanilino)thieno[2,3-h]quinazoline-8-carbonyl]-1,4-diazepan-1-yl]ethanone;1-[4-[2-(3-tert-butylanilino)thieno[2,3-h]quinazoline-8-carbonyl]piperazin-1-yl]ethanone;piperazin-1-yl-[2-(3-propan-2-yloxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone (CID 159196251) is (3-aminopyrrolidin-1-yl)-[2-(3-propan-2-yloxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone;2-(3-tert-butylanilino)-N,N-dimethylthieno[2,3-h]quinazoline-8-carboxamide;1-[4-[2-(3-tert-butylanilino)thieno[2,3-h]quinazoline-8-carbonyl]-1,4-diazepan-1-yl]ethanone;1-[4-[2-(3-tert-butylanilino)thieno[2,3-h]quinazoline-8-carbonyl]piperazin-1-yl]ethanone;piperazin-1-yl-[2-(3-propan-2-yloxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone.

What is the SMILES notation for (3-aminopyrrolidin-1-yl)-[2-(3-propan-2-yloxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone;2-(3-tert-butylanilino)-N,N-dimethylthieno[2,3-h]quinazoline-8-carboxamide;1-[4-[2-(3-tert-butylanilino)thieno[2,3-h]quinazoline-8-carbonyl]-1,4-diazepan-1-yl]ethanone;1-[4-[2-(3-tert-butylanilino)thieno[2,3-h]quinazoline-8-carbonyl]piperazin-1-yl]ethanone;piperazin-1-yl-[2-(3-propan-2-yloxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone?

The canonical SMILES for (3-aminopyrrolidin-1-yl)-[2-(3-propan-2-yloxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone;2-(3-tert-butylanilino)-N,N-dimethylthieno[2,3-h]quinazoline-8-carboxamide;1-[4-[2-(3-tert-butylanilino)thieno[2,3-h]quinazoline-8-carbonyl]-1,4-diazepan-1-yl]ethanone;1-[4-[2-(3-tert-butylanilino)thieno[2,3-h]quinazoline-8-carbonyl]piperazin-1-yl]ethanone;piperazin-1-yl-[2-(3-propan-2-yloxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone is CC(=O)N1CCCN(C(=O)c2cc3c(ccc4cnc(Nc5cccc(C(C)(C)C)c5)nc43)s2)CC1.CC(=O)N1CCN(C(=O)c2cc3c(ccc4cnc(Nc5cccc(C(C)(C)C)c5)nc43)s2)CC1.CC(C)Oc1cccc(Nc2ncc3ccc4sc(C(=O)N5CCC(N)C5)cc4c3n2)c1.CC(C)Oc1cccc(Nc2ncc3ccc4sc(C(=O)N5CCNCC5)cc4c3n2)c1.CN(C)C(=O)c1cc2c(ccc3cnc(Nc4cccc(C(C)(C)C)c4)nc32)s1.

What is the InChIKey of (3-aminopyrrolidin-1-yl)-[2-(3-propan-2-yloxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone;2-(3-tert-butylanilino)-N,N-dimethylthieno[2,3-h]quinazoline-8-carboxamide;1-[4-[2-(3-tert-butylanilino)thieno[2,3-h]quinazoline-8-carbonyl]-1,4-diazepan-1-yl]ethanone;1-[4-[2-(3-tert-butylanilino)thieno[2,3-h]quinazoline-8-carbonyl]piperazin-1-yl]ethanone;piperazin-1-yl-[2-(3-propan-2-yloxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone?

The InChIKey is KORTZVSDQWZEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N5O2S.C27H29N5O2S.2C24H25N5O2S.C23H24N4OS/c1-18(34)32-11-6-12-33(14-13-32)26(35)24-16-22-23(36-24)10-9-19-17-29-27(31-25(19)22)30-21-8-5-7-20(15-21)28(2,3)4;1-17(33)31-10-12-32(13-11-31)25(34)23-15-21-22(35-23)9-8-18-16-28-26(30-24(18)21)29-20-7-5-6-19(14-20)27(2,3)4;1-15(2)31-18-5-3-4-17(12-18)27-24-26-14-16-6-7-20-19(22(16)28-24)13-21(32-20)23(30)29-10-8-25-9-11-29;1-14(2)31-18-5-3-4-17(10-18)27-24-26-12-15-6-7-20-19(22(15)28-24)11-21(32-20)23(30)29-9-8-16(25)13-29;1-23(2,3)15-7-6-8-16(11-15)25-22-24-13-14-9-10-18-17(20(14)26-22)12-19(29-18)21(28)27(4)5/h5,7-10,15-17H,6,11-14H2,1-4H3,(H,29,30,31);5-9,14-16H,10-13H2,1-4H3,(H,28,29,30);3-7,12-15,25H,8-11H2,1-2H3,(H,26,27,28);3-7,10-12,14,16H,8-9,13,25H2,1-2H3,(H,26,27,28);6-13H,1-5H3,(H,24,25,26).

What are the key properties of (3-aminopyrrolidin-1-yl)-[2-(3-propan-2-yloxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone;2-(3-tert-butylanilino)-N,N-dimethylthieno[2,3-h]quinazoline-8-carboxamide;1-[4-[2-(3-tert-butylanilino)thieno[2,3-h]quinazoline-8-carbonyl]-1,4-diazepan-1-yl]ethanone;1-[4-[2-(3-tert-butylanilino)thieno[2,3-h]quinazoline-8-carbonyl]piperazin-1-yl]ethanone;piperazin-1-yl-[2-(3-propan-2-yloxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone?

(3-aminopyrrolidin-1-yl)-[2-(3-propan-2-yloxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone;2-(3-tert-butylanilino)-N,N-dimethylthieno[2,3-h]quinazoline-8-carboxamide;1-[4-[2-(3-tert-butylanilino)thieno[2,3-h]quinazoline-8-carbonyl]-1,4-diazepan-1-yl]ethanone;1-[4-[2-(3-tert-butylanilino)thieno[2,3-h]quinazoline-8-carbonyl]piperazin-1-yl]ethanone;piperazin-1-yl-[2-(3-propan-2-yloxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone has a molecular weight of 2288.95 g/mol, XLogP of 25.33, 19 rotatable bonds, 7 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for (3-aminopyrrolidin-1-yl)-[2-(3-propan-2-yloxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone;2-(3-tert-butylanilino)-N,N-dimethylthieno[2,3-h]quinazoline-8-carboxamide;1-[4-[2-(3-tert-butylanilino)thieno[2,3-h]quinazoline-8-carbonyl]-1,4-diazepan-1-yl]ethanone;1-[4-[2-(3-tert-butylanilino)thieno[2,3-h]quinazoline-8-carbonyl]piperazin-1-yl]ethanone;piperazin-1-yl-[2-(3-propan-2-yloxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone is sourced from PubChem (CID 159196251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).