4-(2-chloroethyl)morpholine;7,7-dipropyl-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;5-(2-morpholin-4-ylethyl)-7,7-dipropyl-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;5-(2-morpholin-4-ylethyl)-7,7-dipropyl-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

C96H140ClN15O8Si2 — CID 159587275

About 4-(2-chloroethyl)morpholine;7,7-dipropyl-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;5-(2-morpholin-4-ylethyl)-7,7-dipropyl-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;5-(2-morpholin-4-ylethyl)-7,7-dipropyl-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

4-(2-chloroethyl)morpholine;7,7-dipropyl-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;5-(2-morpholin-4-ylethyl)-7,7-dipropyl-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;5-(2-morpholin-4-ylethyl)-7,7-dipropyl-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 (PubChem CID 159587275) has the molecular formula C96H140ClN15O8Si2 and a molecular weight of 1723.90 g/mol. Its IUPAC name is 4-(2-chloroethyl)morpholine;7,7-dipropyl-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;5-(2-morpholin-4-ylethyl)-7,7-dipropyl-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;5-(2-morpholin-4-ylethyl)-7,7-dipropyl-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.

Molecular Properties

• Compound Name: 4-(2-chloroethyl)morpholine;7,7-dipropyl-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;5-(2-morpholin-4-ylethyl)-7,7-dipropyl-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;5-(2-morpholin-4-ylethyl)-7,7-dipropyl-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
• PubChem CID: 159587275
• Molecular Formula: C96H140ClN15O8Si2
• Molecular Weight: 1723.90 g/mol
• Exact Mass: 1722.02
• IUPAC Name: 4-(2-chloroethyl)morpholine;7,7-dipropyl-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;5-(2-morpholin-4-ylethyl)-7,7-dipropyl-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;5-(2-morpholin-4-ylethyl)-7,7-dipropyl-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
• SMILES: CCCC1(CCC)C(=O)N(CCN2CCOCC2)c2cc3c4c([nH]c3cc21)-c1[nH]ncc1CCC4.CCCC1(CCC)C(=O)N(CCN2CCOCC2)c2cc3c4c([nH]c3cc21)-c1nn(COCC[Si](C)(C)C)cc1CCC4.CCCC1(CCC)C(=O)Nc2cc3c4c([nH]c3cc21)-c1nn(COCC[Si](C)(C)C)cc1CCC4.ClCCN1CCOCC1
• InChI: InChI=1S/C34H51N5O3Si.C28H37N5O2.C28H40N4O2Si.C6H12ClNO/c1-6-11-34(12-7-2)28-22-29-27(21-30(28)39(33(34)40)14-13-37-15-17-41-18-16-37)26-10-8-9-25-23-38(36-31(25)32(26)35-29)24-42-19-20-43(3,4)5;1-3-8-28(9-4-2)22-17-23-21(20-7-5-6-19-18-29-31-25(19)26(20)30-23)16-24(22)33(27(28)34)11-10-32-12-14-35-15-13-32;1-6-11-28(12-7-2)22-16-23-21(15-24(22)30-27(28)33)20-10-8-9-19-17-32(31-25(19)26(20)29-23)18-34-13-14-35(3,4)5;7-1-2-8-3-5-9-6-4-8/h21-23,35H,6-20,24H2,1-5H3;16-18,30H,3-15H2,1-2H3,(H,29,31);15-17,29H,6-14,18H2,1-5H3,(H,30,33);1-6H2
• InChIKey: MJTXPAIBNBTFKZ-UHFFFAOYSA-N
• XLogP: 18.09
• TPSA: 237.28 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 16
• Rotatable Bonds: 30
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1723.90
LogP ≤ 5	18.09
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloroethyl)morpholine;7,7-dipropyl-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;5-(2-morpholin-4-ylethyl)-7,7-dipropyl-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;5-(2-morpholin-4-ylethyl)-7,7-dipropyl-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?

The IUPAC name of 4-(2-chloroethyl)morpholine;7,7-dipropyl-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;5-(2-morpholin-4-ylethyl)-7,7-dipropyl-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;5-(2-morpholin-4-ylethyl)-7,7-dipropyl-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 (CID 159587275) is 4-(2-chloroethyl)morpholine;7,7-dipropyl-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;5-(2-morpholin-4-ylethyl)-7,7-dipropyl-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;5-(2-morpholin-4-ylethyl)-7,7-dipropyl-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.

What is the SMILES notation for 4-(2-chloroethyl)morpholine;7,7-dipropyl-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;5-(2-morpholin-4-ylethyl)-7,7-dipropyl-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;5-(2-morpholin-4-ylethyl)-7,7-dipropyl-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?

The canonical SMILES for 4-(2-chloroethyl)morpholine;7,7-dipropyl-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;5-(2-morpholin-4-ylethyl)-7,7-dipropyl-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;5-(2-morpholin-4-ylethyl)-7,7-dipropyl-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 is CCCC1(CCC)C(=O)N(CCN2CCOCC2)c2cc3c4c([nH]c3cc21)-c1[nH]ncc1CCC4.CCCC1(CCC)C(=O)N(CCN2CCOCC2)c2cc3c4c([nH]c3cc21)-c1nn(COCC[Si](C)(C)C)cc1CCC4.CCCC1(CCC)C(=O)Nc2cc3c4c([nH]c3cc21)-c1nn(COCC[Si](C)(C)C)cc1CCC4.ClCCN1CCOCC1.

What is the InChIKey of 4-(2-chloroethyl)morpholine;7,7-dipropyl-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;5-(2-morpholin-4-ylethyl)-7,7-dipropyl-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;5-(2-morpholin-4-ylethyl)-7,7-dipropyl-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?

The InChIKey is MJTXPAIBNBTFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H51N5O3Si.C28H37N5O2.C28H40N4O2Si.C6H12ClNO/c1-6-11-34(12-7-2)28-22-29-27(21-30(28)39(33(34)40)14-13-37-15-17-41-18-16-37)26-10-8-9-25-23-38(36-31(25)32(26)35-29)24-42-19-20-43(3,4)5;1-3-8-28(9-4-2)22-17-23-21(20-7-5-6-19-18-29-31-25(19)26(20)30-23)16-24(22)33(27(28)34)11-10-32-12-14-35-15-13-32;1-6-11-28(12-7-2)22-16-23-21(15-24(22)30-27(28)33)20-10-8-9-19-17-32(31-25(19)26(20)29-23)18-34-13-14-35(3,4)5;7-1-2-8-3-5-9-6-4-8/h21-23,35H,6-20,24H2,1-5H3;16-18,30H,3-15H2,1-2H3,(H,29,31);15-17,29H,6-14,18H2,1-5H3,(H,30,33);1-6H2.

What are the key properties of 4-(2-chloroethyl)morpholine;7,7-dipropyl-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;5-(2-morpholin-4-ylethyl)-7,7-dipropyl-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;5-(2-morpholin-4-ylethyl)-7,7-dipropyl-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?

4-(2-chloroethyl)morpholine;7,7-dipropyl-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;5-(2-morpholin-4-ylethyl)-7,7-dipropyl-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;5-(2-morpholin-4-ylethyl)-7,7-dipropyl-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 has a molecular weight of 1723.90 g/mol, XLogP of 18.09, 30 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-chloroethyl)morpholine;7,7-dipropyl-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;5-(2-morpholin-4-ylethyl)-7,7-dipropyl-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;5-(2-morpholin-4-ylethyl)-7,7-dipropyl-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 is sourced from PubChem (CID 159587275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).