7,7-dimethyl-5-(3-morpholin-4-ylpropyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;7,7-dimethyl-5-(3-morpholin-4-ylpropyl)-15-(2-trimethylsilylethoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaen-6-one;3-[7,7-dimethyl-6-oxo-15-(2-trimethylsilylethoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaen-5-yl]propyl 4-methylbenzenesulfonate;5-(3-hydroxypropyl)-7,7-dimethyl-15-(2-trimethylsilylethoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaen-6-one;methane;morpholine

C122H171N19O14SSi3 — CID 157135976

About 7,7-dimethyl-5-(3-morpholin-4-ylpropyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;7,7-dimethyl-5-(3-morpholin-4-ylpropyl)-15-(2-trimethylsilylethoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaen-6-one;3-[7,7-dimethyl-6-oxo-15-(2-trimethylsilylethoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaen-5-yl]propyl 4-methylbenzenesulfonate;5-(3-hydroxypropyl)-7,7-dimethyl-15-(2-trimethylsilylethoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaen-6-one;methane;morpholine

7,7-dimethyl-5-(3-morpholin-4-ylpropyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;7,7-dimethyl-5-(3-morpholin-4-ylpropyl)-15-(2-trimethylsilylethoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaen-6-one;3-[7,7-dimethyl-6-oxo-15-(2-trimethylsilylethoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaen-5-yl]propyl 4-methylbenzenesulfonate;5-(3-hydroxypropyl)-7,7-dimethyl-15-(2-trimethylsilylethoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaen-6-one;methane;morpholine (PubChem CID 157135976) has the molecular formula C122H171N19O14SSi3 and a molecular weight of 2244.15 g/mol. Its IUPAC name is 7,7-dimethyl-5-(3-morpholin-4-ylpropyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;7,7-dimethyl-5-(3-morpholin-4-ylpropyl)-15-(2-trimethylsilylethoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaen-6-one;3-[7,7-dimethyl-6-oxo-15-(2-trimethylsilylethoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaen-5-yl]propyl 4-methylbenzenesulfonate;5-(3-hydroxypropyl)-7,7-dimethyl-15-(2-trimethylsilylethoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaen-6-one;methane;morpholine.

Molecular Properties

• Compound Name: 7,7-dimethyl-5-(3-morpholin-4-ylpropyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;7,7-dimethyl-5-(3-morpholin-4-ylpropyl)-15-(2-trimethylsilylethoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaen-6-one;3-[7,7-dimethyl-6-oxo-15-(2-trimethylsilylethoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaen-5-yl]propyl 4-methylbenzenesulfonate;5-(3-hydroxypropyl)-7,7-dimethyl-15-(2-trimethylsilylethoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaen-6-one;methane;morpholine
• PubChem CID: 157135976
• Molecular Formula: C122H171N19O14SSi3
• Molecular Weight: 2244.15 g/mol
• Exact Mass: 2242.23
• IUPAC Name: 7,7-dimethyl-5-(3-morpholin-4-ylpropyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;7,7-dimethyl-5-(3-morpholin-4-ylpropyl)-15-(2-trimethylsilylethoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaen-6-one;3-[7,7-dimethyl-6-oxo-15-(2-trimethylsilylethoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaen-5-yl]propyl 4-methylbenzenesulfonate;5-(3-hydroxypropyl)-7,7-dimethyl-15-(2-trimethylsilylethoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaen-6-one;methane;morpholine
• SMILES: C.C1COCCN1.CC1(C)C(=O)N(CCCN2CCOCC2)c2cc3c4c([nH]c3cc21)-c1[nH]ncc1CCC4.CC1(C)C(=O)N(CCCN2CCOCC2)c2cc3c4c([nH]c3cc21)-c1nn(COCC[Si](C)(C)C)cc1CCC4.CC1(C)C(=O)N(CCCO)c2cc3c4c([nH]c3cc21)-c1nn(COCC[Si](C)(C)C)cc1CCC4.Cc1ccc(S(=O)(=O)OCCCN2C(=O)C(C)(C)c3cc4[nH]c5c(c4cc32)CCCc2cn(COCC[Si](C)(C)C)nc2-5)cc1
• InChI: InChI=1S/C34H44N4O5SSi.C31H45N5O3Si.C27H38N4O3Si.C25H31N5O2.C4H9NO.CH4/c1-23-11-13-25(14-12-23)44(40,41)43-16-8-15-38-30-19-27-26-10-7-9-24-21-37(22-42-17-18-45(4,5)6)36-31(24)32(26)35-29(27)20-28(30)34(2,3)33(38)39;1-31(2)25-19-26-24(18-27(25)36(30(31)37)11-7-10-34-12-14-38-15-13-34)23-9-6-8-22-20-35(33-28(22)29(23)32-26)21-39-16-17-40(3,4)5;1-27(2)21-15-22-20(14-23(21)31(26(27)33)10-7-11-32)19-9-6-8-18-16-30(29-24(18)25(19)28-22)17-34-12-13-35(3,4)5;1-25(2)19-14-20-18(17-6-3-5-16-15-26-28-22(16)23(17)27-20)13-21(19)30(24(25)31)8-4-7-29-9-11-32-12-10-29;1-3-6-4-2-5-1;/h11-14,19-21,35H,7-10,15-18,22H2,1-6H3;18-20,32H,6-17,21H2,1-5H3;14-16,28,32H,6-13,17H2,1-5H3;13-15,27H,3-12H2,1-2H3,(H,26,28);5H,1-4H2;1H4
• InChIKey: AJPXEEBQBZNAMT-UHFFFAOYSA-N
• XLogP: 20.21
• TPSA: 364.03 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 24
• Rotatable Bonds: 32
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2244.15
LogP ≤ 5	20.21
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-5-(3-morpholin-4-ylpropyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;7,7-dimethyl-5-(3-morpholin-4-ylpropyl)-15-(2-trimethylsilylethoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaen-6-one;3-[7,7-dimethyl-6-oxo-15-(2-trimethylsilylethoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaen-5-yl]propyl 4-methylbenzenesulfonate;5-(3-hydroxypropyl)-7,7-dimethyl-15-(2-trimethylsilylethoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaen-6-one;methane;morpholine?

The IUPAC name of 7,7-dimethyl-5-(3-morpholin-4-ylpropyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;7,7-dimethyl-5-(3-morpholin-4-ylpropyl)-15-(2-trimethylsilylethoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaen-6-one;3-[7,7-dimethyl-6-oxo-15-(2-trimethylsilylethoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaen-5-yl]propyl 4-methylbenzenesulfonate;5-(3-hydroxypropyl)-7,7-dimethyl-15-(2-trimethylsilylethoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaen-6-one;methane;morpholine (CID 157135976) is 7,7-dimethyl-5-(3-morpholin-4-ylpropyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;7,7-dimethyl-5-(3-morpholin-4-ylpropyl)-15-(2-trimethylsilylethoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaen-6-one;3-[7,7-dimethyl-6-oxo-15-(2-trimethylsilylethoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaen-5-yl]propyl 4-methylbenzenesulfonate;5-(3-hydroxypropyl)-7,7-dimethyl-15-(2-trimethylsilylethoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaen-6-one;methane;morpholine.

What is the SMILES notation for 7,7-dimethyl-5-(3-morpholin-4-ylpropyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;7,7-dimethyl-5-(3-morpholin-4-ylpropyl)-15-(2-trimethylsilylethoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaen-6-one;3-[7,7-dimethyl-6-oxo-15-(2-trimethylsilylethoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaen-5-yl]propyl 4-methylbenzenesulfonate;5-(3-hydroxypropyl)-7,7-dimethyl-15-(2-trimethylsilylethoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaen-6-one;methane;morpholine?

The canonical SMILES for 7,7-dimethyl-5-(3-morpholin-4-ylpropyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;7,7-dimethyl-5-(3-morpholin-4-ylpropyl)-15-(2-trimethylsilylethoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaen-6-one;3-[7,7-dimethyl-6-oxo-15-(2-trimethylsilylethoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaen-5-yl]propyl 4-methylbenzenesulfonate;5-(3-hydroxypropyl)-7,7-dimethyl-15-(2-trimethylsilylethoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaen-6-one;methane;morpholine is C.C1COCCN1.CC1(C)C(=O)N(CCCN2CCOCC2)c2cc3c4c([nH]c3cc21)-c1[nH]ncc1CCC4.CC1(C)C(=O)N(CCCN2CCOCC2)c2cc3c4c([nH]c3cc21)-c1nn(COCC[Si](C)(C)C)cc1CCC4.CC1(C)C(=O)N(CCCO)c2cc3c4c([nH]c3cc21)-c1nn(COCC[Si](C)(C)C)cc1CCC4.Cc1ccc(S(=O)(=O)OCCCN2C(=O)C(C)(C)c3cc4[nH]c5c(c4cc32)CCCc2cn(COCC[Si](C)(C)C)nc2-5)cc1.

What is the InChIKey of 7,7-dimethyl-5-(3-morpholin-4-ylpropyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;7,7-dimethyl-5-(3-morpholin-4-ylpropyl)-15-(2-trimethylsilylethoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaen-6-one;3-[7,7-dimethyl-6-oxo-15-(2-trimethylsilylethoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaen-5-yl]propyl 4-methylbenzenesulfonate;5-(3-hydroxypropyl)-7,7-dimethyl-15-(2-trimethylsilylethoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaen-6-one;methane;morpholine?

The InChIKey is AJPXEEBQBZNAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H44N4O5SSi.C31H45N5O3Si.C27H38N4O3Si.C25H31N5O2.C4H9NO.CH4/c1-23-11-13-25(14-12-23)44(40,41)43-16-8-15-38-30-19-27-26-10-7-9-24-21-37(22-42-17-18-45(4,5)6)36-31(24)32(26)35-29(27)20-28(30)34(2,3)33(38)39;1-31(2)25-19-26-24(18-27(25)36(30(31)37)11-7-10-34-12-14-38-15-13-34)23-9-6-8-22-20-35(33-28(22)29(23)32-26)21-39-16-17-40(3,4)5;1-27(2)21-15-22-20(14-23(21)31(26(27)33)10-7-11-32)19-9-6-8-18-16-30(29-24(18)25(19)28-22)17-34-12-13-35(3,4)5;1-25(2)19-14-20-18(17-6-3-5-16-15-26-28-22(16)23(17)27-20)13-21(19)30(24(25)31)8-4-7-29-9-11-32-12-10-29;1-3-6-4-2-5-1;/h11-14,19-21,35H,7-10,15-18,22H2,1-6H3;18-20,32H,6-17,21H2,1-5H3;14-16,28,32H,6-13,17H2,1-5H3;13-15,27H,3-12H2,1-2H3,(H,26,28);5H,1-4H2;1H4.

What are the key properties of 7,7-dimethyl-5-(3-morpholin-4-ylpropyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;7,7-dimethyl-5-(3-morpholin-4-ylpropyl)-15-(2-trimethylsilylethoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaen-6-one;3-[7,7-dimethyl-6-oxo-15-(2-trimethylsilylethoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaen-5-yl]propyl 4-methylbenzenesulfonate;5-(3-hydroxypropyl)-7,7-dimethyl-15-(2-trimethylsilylethoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaen-6-one;methane;morpholine?

7,7-dimethyl-5-(3-morpholin-4-ylpropyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;7,7-dimethyl-5-(3-morpholin-4-ylpropyl)-15-(2-trimethylsilylethoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaen-6-one;3-[7,7-dimethyl-6-oxo-15-(2-trimethylsilylethoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaen-5-yl]propyl 4-methylbenzenesulfonate;5-(3-hydroxypropyl)-7,7-dimethyl-15-(2-trimethylsilylethoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaen-6-one;methane;morpholine has a molecular weight of 2244.15 g/mol, XLogP of 20.21, 32 rotatable bonds, 7 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 7,7-dimethyl-5-(3-morpholin-4-ylpropyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;7,7-dimethyl-5-(3-morpholin-4-ylpropyl)-15-(2-trimethylsilylethoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaen-6-one;3-[7,7-dimethyl-6-oxo-15-(2-trimethylsilylethoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaen-5-yl]propyl 4-methylbenzenesulfonate;5-(3-hydroxypropyl)-7,7-dimethyl-15-(2-trimethylsilylethoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaen-6-one;methane;morpholine is sourced from PubChem (CID 157135976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).