[2-[hydroxy-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]-1,3-thiazol-4-yl]methyl 4-ethylpiperazine-1-carboxylate;[2-[hydroxy-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]-1,3-thiazol-4-yl]methyl 3-hydroxyazetidine-1-carboxylate;[2-[hydroxy-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]-1,3-thiazol-4-yl]methyl 4-methylpiperazine-1-carboxylate;[2-[hydroxy-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]-1,3-thiazol-5-yl]methyl N-pyridin-4-ylcarbamate;[2-[hydroxy-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]-1,3-thiazol-4-yl]methyl N-(1,3-thiazol-2-yl)carbamate

C137H168N34O21S6 — CID 161086767

About [2-[hydroxy-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]-1,3-thiazol-4-yl]methyl 4-ethylpiperazine-1-carboxylate;[2-[hydroxy-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]-1,3-thiazol-4-yl]methyl 3-hydroxyazetidine-1-carboxylate;[2-[hydroxy-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]-1,3-thiazol-4-yl]methyl 4-methylpiperazine-1-carboxylate;[2-[hydroxy-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]-1,3-thiazol-5-yl]methyl N-pyridin-4-ylcarbamate;[2-[hydroxy-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]-1,3-thiazol-4-yl]methyl N-(1,3-thiazol-2-yl)carbamate

[2-[hydroxy-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]-1,3-thiazol-4-yl]methyl 4-ethylpiperazine-1-carboxylate;[2-[hydroxy-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]-1,3-thiazol-4-yl]methyl 3-hydroxyazetidine-1-carboxylate;[2-[hydroxy-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]-1,3-thiazol-4-yl]methyl 4-methylpiperazine-1-carboxylate;[2-[hydroxy-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]-1,3-thiazol-5-yl]methyl N-pyridin-4-ylcarbamate;[2-[hydroxy-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]-1,3-thiazol-4-yl]methyl N-(1,3-thiazol-2-yl)carbamate (PubChem CID 161086767) has the molecular formula C137H168N34O21S6 and a molecular weight of 2819.47 g/mol. Its IUPAC name is [2-[hydroxy-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]-1,3-thiazol-4-yl]methyl 4-ethylpiperazine-1-carboxylate;[2-[hydroxy-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]-1,3-thiazol-4-yl]methyl 3-hydroxyazetidine-1-carboxylate;[2-[hydroxy-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]-1,3-thiazol-4-yl]methyl 4-methylpiperazine-1-carboxylate;[2-[hydroxy-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]-1,3-thiazol-5-yl]methyl N-pyridin-4-ylcarbamate;[2-[hydroxy-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]-1,3-thiazol-4-yl]methyl N-(1,3-thiazol-2-yl)carbamate.

Molecular Properties

• Compound Name: [2-[hydroxy-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]-1,3-thiazol-4-yl]methyl 4-ethylpiperazine-1-carboxylate;[2-[hydroxy-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]-1,3-thiazol-4-yl]methyl 3-hydroxyazetidine-1-carboxylate;[2-[hydroxy-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]-1,3-thiazol-4-yl]methyl 4-methylpiperazine-1-carboxylate;[2-[hydroxy-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]-1,3-thiazol-5-yl]methyl N-pyridin-4-ylcarbamate;[2-[hydroxy-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]-1,3-thiazol-4-yl]methyl N-(1,3-thiazol-2-yl)carbamate
• PubChem CID: 161086767
• Molecular Formula: C137H168N34O21S6
• Molecular Weight: 2819.47 g/mol
• Exact Mass: 2817.14
• IUPAC Name: [2-[hydroxy-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]-1,3-thiazol-4-yl]methyl 4-ethylpiperazine-1-carboxylate;[2-[hydroxy-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]-1,3-thiazol-4-yl]methyl 3-hydroxyazetidine-1-carboxylate;[2-[hydroxy-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]-1,3-thiazol-4-yl]methyl 4-methylpiperazine-1-carboxylate;[2-[hydroxy-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]-1,3-thiazol-5-yl]methyl N-pyridin-4-ylcarbamate;[2-[hydroxy-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]-1,3-thiazol-4-yl]methyl N-(1,3-thiazol-2-yl)carbamate
• SMILES: CCN1CCN(C(=O)OCc2csc(C(O)C3CCCN(c4ncnc5cc(N6CCOCC6)ccc45)C3)n2)CC1.CN1CCN(C(=O)OCc2csc(C(O)C3CCCN(c4ncnc5cc(N6CCOCC6)ccc45)C3)n2)CC1.O=C(Nc1ccncc1)OCc1cnc(C(O)C2CCCN(c3ncnc4cc(N5CCOCC5)ccc34)C2)s1.O=C(Nc1nccs1)OCc1csc(C(O)C2CCCN(c3ncnc4cc(N5CCOCC5)ccc34)C2)n1.O=C(OCc1csc(C(O)C2CCCN(c3ncnc4cc(N5CCOCC5)ccc34)C2)n1)N1CC(O)C1
• InChI: InChI=1S/C29H39N7O4S.C28H37N7O4S.C28H31N7O4S.C26H29N7O4S2.C26H32N6O5S/c1-2-33-8-10-35(11-9-33)29(38)40-18-22-19-41-28(32-22)26(37)21-4-3-7-36(17-21)27-24-6-5-23(16-25(24)30-20-31-27)34-12-14-39-15-13-34;1-32-7-9-34(10-8-32)28(37)39-17-21-18-40-27(31-21)25(36)20-3-2-6-35(16-20)26-23-5-4-22(15-24(23)29-19-30-26)33-11-13-38-14-12-33;36-25(27-30-15-22(40-27)17-39-28(37)33-20-5-7-29-8-6-20)19-2-1-9-35(16-19)26-23-4-3-21(14-24(23)31-18-32-26)34-10-12-38-13-11-34;34-22(24-30-18(15-39-24)14-37-26(35)31-25-27-5-11-38-25)17-2-1-6-33(13-17)23-20-4-3-19(12-21(20)28-16-29-23)32-7-9-36-10-8-32;33-20-12-32(13-20)26(35)37-14-18-15-38-25(29-18)23(34)17-2-1-5-31(11-17)24-21-4-3-19(10-22(21)27-16-28-24)30-6-8-36-9-7-30/h5-6,16,19-21,26,37H,2-4,7-15,17-18H2,1H3;4-5,15,18-20,25,36H,2-3,6-14,16-17H2,1H3;3-8,14-15,18-19,25,36H,1-2,9-13,16-17H2,(H,29,33,37);3-5,11-12,15-17,22,34H,1-2,6-10,13-14H2,(H,27,31,35);3-4,10,15-17,20,23,33-34H,1-2,5-9,11-14H2
• InChIKey: UGPUOLANZFJCMR-UHFFFAOYSA-N
• XLogP: 16.18
• TPSA: 590.82 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 56
• Rotatable Bonds: 33
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2819.47
LogP ≤ 5	16.18
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	56

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2-[hydroxy-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]-1,3-thiazol-4-yl]methyl 4-ethylpiperazine-1-carboxylate;[2-[hydroxy-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]-1,3-thiazol-4-yl]methyl 3-hydroxyazetidine-1-carboxylate;[2-[hydroxy-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]-1,3-thiazol-4-yl]methyl 4-methylpiperazine-1-carboxylate;[2-[hydroxy-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]-1,3-thiazol-5-yl]methyl N-pyridin-4-ylcarbamate;[2-[hydroxy-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]-1,3-thiazol-4-yl]methyl N-(1,3-thiazol-2-yl)carbamate?

The IUPAC name of [2-[hydroxy-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]-1,3-thiazol-4-yl]methyl 4-ethylpiperazine-1-carboxylate;[2-[hydroxy-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]-1,3-thiazol-4-yl]methyl 3-hydroxyazetidine-1-carboxylate;[2-[hydroxy-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]-1,3-thiazol-4-yl]methyl 4-methylpiperazine-1-carboxylate;[2-[hydroxy-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]-1,3-thiazol-5-yl]methyl N-pyridin-4-ylcarbamate;[2-[hydroxy-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]-1,3-thiazol-4-yl]methyl N-(1,3-thiazol-2-yl)carbamate (CID 161086767) is [2-[hydroxy-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]-1,3-thiazol-4-yl]methyl 4-ethylpiperazine-1-carboxylate;[2-[hydroxy-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]-1,3-thiazol-4-yl]methyl 3-hydroxyazetidine-1-carboxylate;[2-[hydroxy-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]-1,3-thiazol-4-yl]methyl 4-methylpiperazine-1-carboxylate;[2-[hydroxy-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]-1,3-thiazol-5-yl]methyl N-pyridin-4-ylcarbamate;[2-[hydroxy-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]-1,3-thiazol-4-yl]methyl N-(1,3-thiazol-2-yl)carbamate.

What is the SMILES notation for [2-[hydroxy-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]-1,3-thiazol-4-yl]methyl 4-ethylpiperazine-1-carboxylate;[2-[hydroxy-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]-1,3-thiazol-4-yl]methyl 3-hydroxyazetidine-1-carboxylate;[2-[hydroxy-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]-1,3-thiazol-4-yl]methyl 4-methylpiperazine-1-carboxylate;[2-[hydroxy-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]-1,3-thiazol-5-yl]methyl N-pyridin-4-ylcarbamate;[2-[hydroxy-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]-1,3-thiazol-4-yl]methyl N-(1,3-thiazol-2-yl)carbamate?

The canonical SMILES for [2-[hydroxy-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]-1,3-thiazol-4-yl]methyl 4-ethylpiperazine-1-carboxylate;[2-[hydroxy-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]-1,3-thiazol-4-yl]methyl 3-hydroxyazetidine-1-carboxylate;[2-[hydroxy-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]-1,3-thiazol-4-yl]methyl 4-methylpiperazine-1-carboxylate;[2-[hydroxy-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]-1,3-thiazol-5-yl]methyl N-pyridin-4-ylcarbamate;[2-[hydroxy-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]-1,3-thiazol-4-yl]methyl N-(1,3-thiazol-2-yl)carbamate is CCN1CCN(C(=O)OCc2csc(C(O)C3CCCN(c4ncnc5cc(N6CCOCC6)ccc45)C3)n2)CC1.CN1CCN(C(=O)OCc2csc(C(O)C3CCCN(c4ncnc5cc(N6CCOCC6)ccc45)C3)n2)CC1.O=C(Nc1ccncc1)OCc1cnc(C(O)C2CCCN(c3ncnc4cc(N5CCOCC5)ccc34)C2)s1.O=C(Nc1nccs1)OCc1csc(C(O)C2CCCN(c3ncnc4cc(N5CCOCC5)ccc34)C2)n1.O=C(OCc1csc(C(O)C2CCCN(c3ncnc4cc(N5CCOCC5)ccc34)C2)n1)N1CC(O)C1.

What is the InChIKey of [2-[hydroxy-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]-1,3-thiazol-4-yl]methyl 4-ethylpiperazine-1-carboxylate;[2-[hydroxy-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]-1,3-thiazol-4-yl]methyl 3-hydroxyazetidine-1-carboxylate;[2-[hydroxy-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]-1,3-thiazol-4-yl]methyl 4-methylpiperazine-1-carboxylate;[2-[hydroxy-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]-1,3-thiazol-5-yl]methyl N-pyridin-4-ylcarbamate;[2-[hydroxy-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]-1,3-thiazol-4-yl]methyl N-(1,3-thiazol-2-yl)carbamate?

The InChIKey is UGPUOLANZFJCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39N7O4S.C28H37N7O4S.C28H31N7O4S.C26H29N7O4S2.C26H32N6O5S/c1-2-33-8-10-35(11-9-33)29(38)40-18-22-19-41-28(32-22)26(37)21-4-3-7-36(17-21)27-24-6-5-23(16-25(24)30-20-31-27)34-12-14-39-15-13-34;1-32-7-9-34(10-8-32)28(37)39-17-21-18-40-27(31-21)25(36)20-3-2-6-35(16-20)26-23-5-4-22(15-24(23)29-19-30-26)33-11-13-38-14-12-33;36-25(27-30-15-22(40-27)17-39-28(37)33-20-5-7-29-8-6-20)19-2-1-9-35(16-19)26-23-4-3-21(14-24(23)31-18-32-26)34-10-12-38-13-11-34;34-22(24-30-18(15-39-24)14-37-26(35)31-25-27-5-11-38-25)17-2-1-6-33(13-17)23-20-4-3-19(12-21(20)28-16-29-23)32-7-9-36-10-8-32;33-20-12-32(13-20)26(35)37-14-18-15-38-25(29-18)23(34)17-2-1-5-31(11-17)24-21-4-3-19(10-22(21)27-16-28-24)30-6-8-36-9-7-30/h5-6,16,19-21,26,37H,2-4,7-15,17-18H2,1H3;4-5,15,18-20,25,36H,2-3,6-14,16-17H2,1H3;3-8,14-15,18-19,25,36H,1-2,9-13,16-17H2,(H,29,33,37);3-5,11-12,15-17,22,34H,1-2,6-10,13-14H2,(H,27,31,35);3-4,10,15-17,20,23,33-34H,1-2,5-9,11-14H2.

What are the key properties of [2-[hydroxy-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]-1,3-thiazol-4-yl]methyl 4-ethylpiperazine-1-carboxylate;[2-[hydroxy-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]-1,3-thiazol-4-yl]methyl 3-hydroxyazetidine-1-carboxylate;[2-[hydroxy-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]-1,3-thiazol-4-yl]methyl 4-methylpiperazine-1-carboxylate;[2-[hydroxy-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]-1,3-thiazol-5-yl]methyl N-pyridin-4-ylcarbamate;[2-[hydroxy-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]-1,3-thiazol-4-yl]methyl N-(1,3-thiazol-2-yl)carbamate?

[2-[hydroxy-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]-1,3-thiazol-4-yl]methyl 4-ethylpiperazine-1-carboxylate;[2-[hydroxy-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]-1,3-thiazol-4-yl]methyl 3-hydroxyazetidine-1-carboxylate;[2-[hydroxy-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]-1,3-thiazol-4-yl]methyl 4-methylpiperazine-1-carboxylate;[2-[hydroxy-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]-1,3-thiazol-5-yl]methyl N-pyridin-4-ylcarbamate;[2-[hydroxy-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]-1,3-thiazol-4-yl]methyl N-(1,3-thiazol-2-yl)carbamate has a molecular weight of 2819.47 g/mol, XLogP of 16.18, 33 rotatable bonds, 8 hydrogen bond donors, and 56 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[hydroxy-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]-1,3-thiazol-4-yl]methyl 4-ethylpiperazine-1-carboxylate;[2-[hydroxy-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]-1,3-thiazol-4-yl]methyl 3-hydroxyazetidine-1-carboxylate;[2-[hydroxy-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]-1,3-thiazol-4-yl]methyl 4-methylpiperazine-1-carboxylate;[2-[hydroxy-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]-1,3-thiazol-5-yl]methyl N-pyridin-4-ylcarbamate;[2-[hydroxy-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]-1,3-thiazol-4-yl]methyl N-(1,3-thiazol-2-yl)carbamate is sourced from PubChem (CID 161086767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).