15-(3-oxa-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),13(17),14-trien-15-ylmethyl)-3-oxa-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),13(17),14-triene

C31H38N2O2 — CID 15261373

About 15-(3-oxa-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),13(17),14-trien-15-ylmethyl)-3-oxa-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),13(17),14-triene

15-(3-oxa-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),13(17),14-trien-15-ylmethyl)-3-oxa-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),13(17),14-triene (PubChem CID 15261373) has the molecular formula C31H38N2O2 and a molecular weight of 470.66 g/mol. Its IUPAC name is 15-(3-oxa-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),13(17),14-trien-15-ylmethyl)-3-oxa-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),13(17),14-triene.

Molecular Properties

• Compound Name: 15-(3-oxa-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),13(17),14-trien-15-ylmethyl)-3-oxa-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),13(17),14-triene
• PubChem CID: 15261373
• Molecular Formula: C31H38N2O2
• Molecular Weight: 470.66 g/mol
• Exact Mass: 470.29
• IUPAC Name: 15-(3-oxa-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),13(17),14-trien-15-ylmethyl)-3-oxa-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),13(17),14-triene
• SMILES: c1c(Cc2cc3c4c(c2)C2OCCCC2CN4CCC3)cc2c3c1CCCN3CC1CCCOC21
• InChI: InChI=1S/C31H38N2O2/c1-5-22-14-20(16-26-28(22)32(9-1)18-24-7-3-11-34-30(24)26)13-21-15-23-6-2-10-33-19-25-8-4-12-35-31(25)27(17-21)29(23)33/h14-17,24-25,30-31H,1-13,18-19H2
• InChIKey: GWZQBDQSDRJBDM-UHFFFAOYSA-N
• XLogP: 5.75
• TPSA: 24.94 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	470.66
LogP ≤ 5	5.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 15-(3-oxa-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),13(17),14-trien-15-ylmethyl)-3-oxa-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),13(17),14-triene?

The IUPAC name of 15-(3-oxa-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),13(17),14-trien-15-ylmethyl)-3-oxa-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),13(17),14-triene (CID 15261373) is 15-(3-oxa-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),13(17),14-trien-15-ylmethyl)-3-oxa-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),13(17),14-triene.

What is the SMILES notation for 15-(3-oxa-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),13(17),14-trien-15-ylmethyl)-3-oxa-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),13(17),14-triene?

The canonical SMILES for 15-(3-oxa-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),13(17),14-trien-15-ylmethyl)-3-oxa-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),13(17),14-triene is c1c(Cc2cc3c4c(c2)C2OCCCC2CN4CCC3)cc2c3c1CCCN3CC1CCCOC21.

What is the InChIKey of 15-(3-oxa-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),13(17),14-trien-15-ylmethyl)-3-oxa-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),13(17),14-triene?

The InChIKey is GWZQBDQSDRJBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38N2O2/c1-5-22-14-20(16-26-28(22)32(9-1)18-24-7-3-11-34-30(24)26)13-21-15-23-6-2-10-33-19-25-8-4-12-35-31(25)27(17-21)29(23)33/h14-17,24-25,30-31H,1-13,18-19H2.

What are the key properties of 15-(3-oxa-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),13(17),14-trien-15-ylmethyl)-3-oxa-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),13(17),14-triene?

15-(3-oxa-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),13(17),14-trien-15-ylmethyl)-3-oxa-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),13(17),14-triene has a molecular weight of 470.66 g/mol, XLogP of 5.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 15-(3-oxa-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),13(17),14-trien-15-ylmethyl)-3-oxa-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),13(17),14-triene is sourced from PubChem (CID 15261373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).