14-cyclohexyl-10-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione

C26H23N3O5 — CID 71706519

About 14-cyclohexyl-10-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione

14-cyclohexyl-10-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione (PubChem CID 71706519) has the molecular formula C26H23N3O5 and a molecular weight of 457.49 g/mol. Its IUPAC name is 14-cyclohexyl-10-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione.

Molecular Properties

• Compound Name: 14-cyclohexyl-10-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione
• PubChem CID: 71706519
• Molecular Formula: C26H23N3O5
• Molecular Weight: 457.49 g/mol
• Exact Mass: 457.16
• IUPAC Name: 14-cyclohexyl-10-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione
• SMILES: O=c1ccc2c(c1)oc1c(-c3ccc4c(c3)OCCO4)c3c(=O)[nH]n(C4CCCCC4)c3[nH]c12
• InChI: InChI=1S/C26H23N3O5/c30-16-7-8-17-19(13-16)34-24-21(14-6-9-18-20(12-14)33-11-10-32-18)22-25(27-23(17)24)29(28-26(22)31)15-4-2-1-3-5-15/h6-9,12-13,15,27H,1-5,10-11H2,(H,28,31)
• InChIKey: FQNUXJCQJUNWRW-UHFFFAOYSA-N
• XLogP: 4.86
• TPSA: 102.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	457.49
LogP ≤ 5	4.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 14-cyclohexyl-10-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione?

The IUPAC name of 14-cyclohexyl-10-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione (CID 71706519) is 14-cyclohexyl-10-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione.

What is the SMILES notation for 14-cyclohexyl-10-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione?

The canonical SMILES for 14-cyclohexyl-10-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione is O=c1ccc2c(c1)oc1c(-c3ccc4c(c3)OCCO4)c3c(=O)[nH]n(C4CCCCC4)c3[nH]c12.

What is the InChIKey of 14-cyclohexyl-10-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione?

The InChIKey is FQNUXJCQJUNWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O5/c30-16-7-8-17-19(13-16)34-24-21(14-6-9-18-20(12-14)33-11-10-32-18)22-25(27-23(17)24)29(28-26(22)31)15-4-2-1-3-5-15/h6-9,12-13,15,27H,1-5,10-11H2,(H,28,31).

What are the key properties of 14-cyclohexyl-10-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione?

14-cyclohexyl-10-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione has a molecular weight of 457.49 g/mol, XLogP of 4.86, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 14-cyclohexyl-10-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione is sourced from PubChem (CID 71706519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).