N-[(1-acetylpyrrolidin-3-yl)methyl]-2-(3-tert-butylanilino)thieno[2,3-h]quinazoline-8-carboxamide;N,N-dimethyl-4-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzamide;(4-methylpiperazin-1-yl)-[4-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]methanone;morpholin-4-yl-[4-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]methanone;[2-[[(1R)-1-phenylethyl]amino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone

C128H133N29O10S5 — CID 158958269

About N-[(1-acetylpyrrolidin-3-yl)methyl]-2-(3-tert-butylanilino)thieno[2,3-h]quinazoline-8-carboxamide;N,N-dimethyl-4-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzamide;(4-methylpiperazin-1-yl)-[4-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]methanone;morpholin-4-yl-[4-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]methanone;[2-[[(1R)-1-phenylethyl]amino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone

N-[(1-acetylpyrrolidin-3-yl)methyl]-2-(3-tert-butylanilino)thieno[2,3-h]quinazoline-8-carboxamide;N,N-dimethyl-4-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzamide;(4-methylpiperazin-1-yl)-[4-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]methanone;morpholin-4-yl-[4-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]methanone;[2-[[(1R)-1-phenylethyl]amino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone (PubChem CID 158958269) has the molecular formula C128H133N29O10S5 and a molecular weight of 2398.00 g/mol. Its IUPAC name is N-[(1-acetylpyrrolidin-3-yl)methyl]-2-(3-tert-butylanilino)thieno[2,3-h]quinazoline-8-carboxamide;N,N-dimethyl-4-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzamide;(4-methylpiperazin-1-yl)-[4-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]methanone;morpholin-4-yl-[4-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]methanone;[2-[[(1R)-1-phenylethyl]amino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone.

Molecular Properties

• Compound Name: N-[(1-acetylpyrrolidin-3-yl)methyl]-2-(3-tert-butylanilino)thieno[2,3-h]quinazoline-8-carboxamide;N,N-dimethyl-4-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzamide;(4-methylpiperazin-1-yl)-[4-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]methanone;morpholin-4-yl-[4-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]methanone;[2-[[(1R)-1-phenylethyl]amino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone
• PubChem CID: 158958269
• Molecular Formula: C128H133N29O10S5
• Molecular Weight: 2398.00 g/mol
• Exact Mass: 2395.94
• IUPAC Name: N-[(1-acetylpyrrolidin-3-yl)methyl]-2-(3-tert-butylanilino)thieno[2,3-h]quinazoline-8-carboxamide;N,N-dimethyl-4-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzamide;(4-methylpiperazin-1-yl)-[4-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]methanone;morpholin-4-yl-[4-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]methanone;[2-[[(1R)-1-phenylethyl]amino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone
• SMILES: CC(=O)N1CCC(CNC(=O)c2cc3c(ccc4cnc(Nc5cccc(C(C)(C)C)c5)nc43)s2)C1.CN(C)C(=O)c1ccc(Nc2ncc3ccc4sc(C(=O)N5CCNCC5)cc4c3n2)cc1.CN1CCN(C(=O)c2ccc(Nc3ncc4ccc5sc(C(=O)N6CCNCC6)cc5c4n3)cc2)CC1.C[C@@H](Nc1ncc2ccc3sc(C(=O)N4CCNCC4)cc3c2n1)c1ccccc1.O=C(c1ccc(Nc2ncc3ccc4sc(C(=O)N5CCNCC5)cc4c3n2)cc1)N1CCOCC1
• InChI: InChI=1S/C28H31N5O2S.C27H29N7O2S.C26H26N6O3S.C24H24N6O2S.C23H23N5OS/c1-17(34)33-11-10-18(16-33)14-29-26(35)24-13-22-23(36-24)9-8-19-15-30-27(32-25(19)22)31-21-7-5-6-20(12-21)28(2,3)4;1-32-12-14-34(15-13-32)25(35)18-2-5-20(6-3-18)30-27-29-17-19-4-7-22-21(24(19)31-27)16-23(37-22)26(36)33-10-8-28-9-11-33;33-24(32-11-13-35-14-12-32)17-1-4-19(5-2-17)29-26-28-16-18-3-6-21-20(23(18)30-26)15-22(36-21)25(34)31-9-7-27-8-10-31;1-29(2)22(31)15-3-6-17(7-4-15)27-24-26-14-16-5-8-19-18(21(16)28-24)13-20(33-19)23(32)30-11-9-25-10-12-30;1-15(16-5-3-2-4-6-16)26-23-25-14-17-7-8-19-18(21(17)27-23)13-20(30-19)22(29)28-11-9-24-10-12-28/h5-9,12-13,15,18H,10-11,14,16H2,1-4H3,(H,29,35)(H,30,31,32);2-7,16-17,28H,8-15H2,1H3,(H,29,30,31);1-6,15-16,27H,7-14H2,(H,28,29,30);3-8,13-14,25H,9-12H2,1-2H3,(H,26,27,28);2-8,13-15,24H,9-12H2,1H3,(H,25,26,27)/t;;;;15-/m....1/s1
• InChIKey: JMHDVAKWQHZDIY-SNGXIWJFSA-N
• XLogP: 19.01
• TPSA: 441.22 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 35
• Rotatable Bonds: 21
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2398.00
LogP ≤ 5	19.01
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of N-[(1-acetylpyrrolidin-3-yl)methyl]-2-(3-tert-butylanilino)thieno[2,3-h]quinazoline-8-carboxamide;N,N-dimethyl-4-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzamide;(4-methylpiperazin-1-yl)-[4-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]methanone;morpholin-4-yl-[4-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]methanone;[2-[[(1R)-1-phenylethyl]amino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone?

The IUPAC name of N-[(1-acetylpyrrolidin-3-yl)methyl]-2-(3-tert-butylanilino)thieno[2,3-h]quinazoline-8-carboxamide;N,N-dimethyl-4-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzamide;(4-methylpiperazin-1-yl)-[4-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]methanone;morpholin-4-yl-[4-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]methanone;[2-[[(1R)-1-phenylethyl]amino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone (CID 158958269) is N-[(1-acetylpyrrolidin-3-yl)methyl]-2-(3-tert-butylanilino)thieno[2,3-h]quinazoline-8-carboxamide;N,N-dimethyl-4-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzamide;(4-methylpiperazin-1-yl)-[4-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]methanone;morpholin-4-yl-[4-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]methanone;[2-[[(1R)-1-phenylethyl]amino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone.

What is the SMILES notation for N-[(1-acetylpyrrolidin-3-yl)methyl]-2-(3-tert-butylanilino)thieno[2,3-h]quinazoline-8-carboxamide;N,N-dimethyl-4-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzamide;(4-methylpiperazin-1-yl)-[4-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]methanone;morpholin-4-yl-[4-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]methanone;[2-[[(1R)-1-phenylethyl]amino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone?

The canonical SMILES for N-[(1-acetylpyrrolidin-3-yl)methyl]-2-(3-tert-butylanilino)thieno[2,3-h]quinazoline-8-carboxamide;N,N-dimethyl-4-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzamide;(4-methylpiperazin-1-yl)-[4-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]methanone;morpholin-4-yl-[4-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]methanone;[2-[[(1R)-1-phenylethyl]amino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone is CC(=O)N1CCC(CNC(=O)c2cc3c(ccc4cnc(Nc5cccc(C(C)(C)C)c5)nc43)s2)C1.CN(C)C(=O)c1ccc(Nc2ncc3ccc4sc(C(=O)N5CCNCC5)cc4c3n2)cc1.CN1CCN(C(=O)c2ccc(Nc3ncc4ccc5sc(C(=O)N6CCNCC6)cc5c4n3)cc2)CC1.C[C@@H](Nc1ncc2ccc3sc(C(=O)N4CCNCC4)cc3c2n1)c1ccccc1.O=C(c1ccc(Nc2ncc3ccc4sc(C(=O)N5CCNCC5)cc4c3n2)cc1)N1CCOCC1.

What is the InChIKey of N-[(1-acetylpyrrolidin-3-yl)methyl]-2-(3-tert-butylanilino)thieno[2,3-h]quinazoline-8-carboxamide;N,N-dimethyl-4-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzamide;(4-methylpiperazin-1-yl)-[4-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]methanone;morpholin-4-yl-[4-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]methanone;[2-[[(1R)-1-phenylethyl]amino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone?

The InChIKey is JMHDVAKWQHZDIY-SNGXIWJFSA-N. The full InChI is InChI=1S/C28H31N5O2S.C27H29N7O2S.C26H26N6O3S.C24H24N6O2S.C23H23N5OS/c1-17(34)33-11-10-18(16-33)14-29-26(35)24-13-22-23(36-24)9-8-19-15-30-27(32-25(19)22)31-21-7-5-6-20(12-21)28(2,3)4;1-32-12-14-34(15-13-32)25(35)18-2-5-20(6-3-18)30-27-29-17-19-4-7-22-21(24(19)31-27)16-23(37-22)26(36)33-10-8-28-9-11-33;33-24(32-11-13-35-14-12-32)17-1-4-19(5-2-17)29-26-28-16-18-3-6-21-20(23(18)30-26)15-22(36-21)25(34)31-9-7-27-8-10-31;1-29(2)22(31)15-3-6-17(7-4-15)27-24-26-14-16-5-8-19-18(21(16)28-24)13-20(33-19)23(32)30-11-9-25-10-12-30;1-15(16-5-3-2-4-6-16)26-23-25-14-17-7-8-19-18(21(17)27-23)13-20(30-19)22(29)28-11-9-24-10-12-28/h5-9,12-13,15,18H,10-11,14,16H2,1-4H3,(H,29,35)(H,30,31,32);2-7,16-17,28H,8-15H2,1H3,(H,29,30,31);1-6,15-16,27H,7-14H2,(H,28,29,30);3-8,13-14,25H,9-12H2,1-2H3,(H,26,27,28);2-8,13-15,24H,9-12H2,1H3,(H,25,26,27)/t;;;;15-/m....1/s1.

What are the key properties of N-[(1-acetylpyrrolidin-3-yl)methyl]-2-(3-tert-butylanilino)thieno[2,3-h]quinazoline-8-carboxamide;N,N-dimethyl-4-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzamide;(4-methylpiperazin-1-yl)-[4-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]methanone;morpholin-4-yl-[4-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]methanone;[2-[[(1R)-1-phenylethyl]amino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone?

N-[(1-acetylpyrrolidin-3-yl)methyl]-2-(3-tert-butylanilino)thieno[2,3-h]quinazoline-8-carboxamide;N,N-dimethyl-4-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzamide;(4-methylpiperazin-1-yl)-[4-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]methanone;morpholin-4-yl-[4-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]methanone;[2-[[(1R)-1-phenylethyl]amino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone has a molecular weight of 2398.00 g/mol, XLogP of 19.01, 21 rotatable bonds, 10 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1-acetylpyrrolidin-3-yl)methyl]-2-(3-tert-butylanilino)thieno[2,3-h]quinazoline-8-carboxamide;N,N-dimethyl-4-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzamide;(4-methylpiperazin-1-yl)-[4-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]methanone;morpholin-4-yl-[4-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]methanone;[2-[[(1R)-1-phenylethyl]amino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 158958269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).