10-[[4-(2-hydroxyacetyl)phenyl]methyl]-4-methyl-14-(2-morpholin-4-ylethoxy)-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene-3,5-dione;4-methyl-15-(2-morpholin-4-ylethoxy)-11-[(4-propanoylphenyl)methyl]-4,7,11-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene-3,6-dione

C60H68N8O11 — CID 161241144

About 10-[[4-(2-hydroxyacetyl)phenyl]methyl]-4-methyl-14-(2-morpholin-4-ylethoxy)-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene-3,5-dione;4-methyl-15-(2-morpholin-4-ylethoxy)-11-[(4-propanoylphenyl)methyl]-4,7,11-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene-3,6-dione

10-[[4-(2-hydroxyacetyl)phenyl]methyl]-4-methyl-14-(2-morpholin-4-ylethoxy)-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene-3,5-dione;4-methyl-15-(2-morpholin-4-ylethoxy)-11-[(4-propanoylphenyl)methyl]-4,7,11-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene-3,6-dione (PubChem CID 161241144) has the molecular formula C60H68N8O11 and a molecular weight of 1077.25 g/mol. Its IUPAC name is 10-[[4-(2-hydroxyacetyl)phenyl]methyl]-4-methyl-14-(2-morpholin-4-ylethoxy)-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene-3,5-dione;4-methyl-15-(2-morpholin-4-ylethoxy)-11-[(4-propanoylphenyl)methyl]-4,7,11-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene-3,6-dione.

Molecular Properties

• Compound Name: 10-[[4-(2-hydroxyacetyl)phenyl]methyl]-4-methyl-14-(2-morpholin-4-ylethoxy)-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene-3,5-dione;4-methyl-15-(2-morpholin-4-ylethoxy)-11-[(4-propanoylphenyl)methyl]-4,7,11-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene-3,6-dione
• PubChem CID: 161241144
• Molecular Formula: C60H68N8O11
• Molecular Weight: 1077.25 g/mol
• Exact Mass: 1076.50
• IUPAC Name: 10-[[4-(2-hydroxyacetyl)phenyl]methyl]-4-methyl-14-(2-morpholin-4-ylethoxy)-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene-3,5-dione;4-methyl-15-(2-morpholin-4-ylethoxy)-11-[(4-propanoylphenyl)methyl]-4,7,11-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene-3,6-dione
• SMILES: CCC(=O)c1ccc(Cn2c3c(c4cc(OCCN5CCOCC5)ccc42)C2C(=O)N(C)CC(=O)N2CC3)cc1.CN1C(=O)C2c3c(n(Cc4ccc(C(=O)CO)cc4)c4ccc(OCCN5CCOCC5)cc34)CCN2C1=O
• InChI: InChI=1S/C31H36N4O5.C29H32N4O6/c1-3-27(36)22-6-4-21(5-7-22)19-35-25-9-8-23(40-17-14-33-12-15-39-16-13-33)18-24(25)29-26(35)10-11-34-28(37)20-32(2)31(38)30(29)34;1-30-28(36)27-26-22-16-21(39-15-12-31-10-13-38-14-11-31)6-7-23(22)33(24(26)8-9-32(27)29(30)37)17-19-2-4-20(5-3-19)25(35)18-34/h4-9,18,30H,3,10-17,19-20H2,1-2H3;2-7,16,27,34H,8-15,17-18H2,1H3
• InChIKey: VAACPYSMTLLBNC-UHFFFAOYSA-N
• XLogP: 4.96
• TPSA: 188.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 15
• Rotatable Bonds: 16
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1077.25
LogP ≤ 5	4.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 10-[[4-(2-hydroxyacetyl)phenyl]methyl]-4-methyl-14-(2-morpholin-4-ylethoxy)-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene-3,5-dione;4-methyl-15-(2-morpholin-4-ylethoxy)-11-[(4-propanoylphenyl)methyl]-4,7,11-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene-3,6-dione?

The IUPAC name of 10-[[4-(2-hydroxyacetyl)phenyl]methyl]-4-methyl-14-(2-morpholin-4-ylethoxy)-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene-3,5-dione;4-methyl-15-(2-morpholin-4-ylethoxy)-11-[(4-propanoylphenyl)methyl]-4,7,11-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene-3,6-dione (CID 161241144) is 10-[[4-(2-hydroxyacetyl)phenyl]methyl]-4-methyl-14-(2-morpholin-4-ylethoxy)-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene-3,5-dione;4-methyl-15-(2-morpholin-4-ylethoxy)-11-[(4-propanoylphenyl)methyl]-4,7,11-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene-3,6-dione.

What is the SMILES notation for 10-[[4-(2-hydroxyacetyl)phenyl]methyl]-4-methyl-14-(2-morpholin-4-ylethoxy)-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene-3,5-dione;4-methyl-15-(2-morpholin-4-ylethoxy)-11-[(4-propanoylphenyl)methyl]-4,7,11-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene-3,6-dione?

The canonical SMILES for 10-[[4-(2-hydroxyacetyl)phenyl]methyl]-4-methyl-14-(2-morpholin-4-ylethoxy)-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene-3,5-dione;4-methyl-15-(2-morpholin-4-ylethoxy)-11-[(4-propanoylphenyl)methyl]-4,7,11-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene-3,6-dione is CCC(=O)c1ccc(Cn2c3c(c4cc(OCCN5CCOCC5)ccc42)C2C(=O)N(C)CC(=O)N2CC3)cc1.CN1C(=O)C2c3c(n(Cc4ccc(C(=O)CO)cc4)c4ccc(OCCN5CCOCC5)cc34)CCN2C1=O.

What is the InChIKey of 10-[[4-(2-hydroxyacetyl)phenyl]methyl]-4-methyl-14-(2-morpholin-4-ylethoxy)-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene-3,5-dione;4-methyl-15-(2-morpholin-4-ylethoxy)-11-[(4-propanoylphenyl)methyl]-4,7,11-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene-3,6-dione?

The InChIKey is VAACPYSMTLLBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N4O5.C29H32N4O6/c1-3-27(36)22-6-4-21(5-7-22)19-35-25-9-8-23(40-17-14-33-12-15-39-16-13-33)18-24(25)29-26(35)10-11-34-28(37)20-32(2)31(38)30(29)34;1-30-28(36)27-26-22-16-21(39-15-12-31-10-13-38-14-11-31)6-7-23(22)33(24(26)8-9-32(27)29(30)37)17-19-2-4-20(5-3-19)25(35)18-34/h4-9,18,30H,3,10-17,19-20H2,1-2H3;2-7,16,27,34H,8-15,17-18H2,1H3.

What are the key properties of 10-[[4-(2-hydroxyacetyl)phenyl]methyl]-4-methyl-14-(2-morpholin-4-ylethoxy)-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene-3,5-dione;4-methyl-15-(2-morpholin-4-ylethoxy)-11-[(4-propanoylphenyl)methyl]-4,7,11-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene-3,6-dione?

10-[[4-(2-hydroxyacetyl)phenyl]methyl]-4-methyl-14-(2-morpholin-4-ylethoxy)-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene-3,5-dione;4-methyl-15-(2-morpholin-4-ylethoxy)-11-[(4-propanoylphenyl)methyl]-4,7,11-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene-3,6-dione has a molecular weight of 1077.25 g/mol, XLogP of 4.96, 16 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[[4-(2-hydroxyacetyl)phenyl]methyl]-4-methyl-14-(2-morpholin-4-ylethoxy)-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene-3,5-dione;4-methyl-15-(2-morpholin-4-ylethoxy)-11-[(4-propanoylphenyl)methyl]-4,7,11-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene-3,6-dione is sourced from PubChem (CID 161241144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).