11-(oxan-4-yl)-18,21-dioxa-3,8,11,12,15,23-hexazatetracyclo[20.3.1.12,6.09,13]heptacosa-1(26),2,4,6(27),9,12,22,24-octaene-7,14-dione

C24H26N6O5 — CID 118641199

IUPAC11-(oxan-4-yl)-18,21-dioxa-3,8,11,12,15,23-hexazatetracyclo[20.3.1.12,6.09,13]heptacosa-1(26),2,4,6(27),9,12,22,24-octaene-7,14-dione
SMILESO=C1Nc2cn(C3CCOCC3)nc2C(=O)NCCOCCOc2cc(ccn2)-c2cc1ccn2
InChIInChI=1S/C24H26N6O5/c31-23-17-2-5-25-19(13-17)16-1-6-26-21(14-16)35-12-11-34-10-7-27-24(32)22-20(28-23)15-30(29-22)18-3-8-33-9-4-18/h1-2,5-6,13-15,18H,3-4,7-12H2,(H,27,32)(H,28,31)
InChIKeyALBFYLZCSOJWOH-UHFFFAOYSA-N
MW478.51 g/mol
LogP2.08
Rot. Bonds1

About 11-(oxan-4-yl)-18,21-dioxa-3,8,11,12,15,23-hexazatetracyclo[20.3.1.12,6.09,13]heptacosa-1(26),2,4,6(27),9,12,22,24-octaene-7,14-dione

11-(oxan-4-yl)-18,21-dioxa-3,8,11,12,15,23-hexazatetracyclo[20.3.1.12,6.09,13]heptacosa-1(26),2,4,6(27),9,12,22,24-octaene-7,14-dione (PubChem CID 118641199) has the molecular formula C24H26N6O5 and a molecular weight of 478.51 g/mol. Its IUPAC name is 11-(oxan-4-yl)-18,21-dioxa-3,8,11,12,15,23-hexazatetracyclo[20.3.1.12,6.09,13]heptacosa-1(26),2,4,6(27),9,12,22,24-octaene-7,14-dione.

Molecular Properties

Compound Name11-(oxan-4-yl)-18,21-dioxa-3,8,11,12,15,23-hexazatetracyclo[20.3.1.12,6.09,13]heptacosa-1(26),2,4,6(27),9,12,22,24-octaene-7,14-dione
PubChem CID118641199
Molecular FormulaC24H26N6O5
Molecular Weight478.51 g/mol
Exact Mass478.20
IUPAC Name11-(oxan-4-yl)-18,21-dioxa-3,8,11,12,15,23-hexazatetracyclo[20.3.1.12,6.09,13]heptacosa-1(26),2,4,6(27),9,12,22,24-octaene-7,14-dione
SMILESO=C1Nc2cn(C3CCOCC3)nc2C(=O)NCCOCCOc2cc(ccn2)-c2cc1ccn2
InChIInChI=1S/C24H26N6O5/c31-23-17-2-5-25-19(13-17)16-1-6-26-21(14-16)35-12-11-34-10-7-27-24(32)22-20(28-23)15-30(29-22)18-3-8-33-9-4-18/h1-2,5-6,13-15,18H,3-4,7-12H2,(H,27,32)(H,28,31)
InChIKeyALBFYLZCSOJWOH-UHFFFAOYSA-N
XLogP2.08
TPSA129.49 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds1
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.51
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 11-(oxan-4-yl)-18,21-dioxa-3,8,11,12,15,23-hexazatetracyclo[20.3.1.12,6.09,13]heptacosa-1(26),2,4,6(27),9,12,22,24-octaene-7,14-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11-(oxan-4-yl)-18,21-dioxa-3,8,11,12,15,23-hexazatetracyclo[20.3.1.12,6.09,13]heptacosa-1(26),2,4,6(27),9,12,22,24-octaene-7,14-dione?
The IUPAC name of 11-(oxan-4-yl)-18,21-dioxa-3,8,11,12,15,23-hexazatetracyclo[20.3.1.12,6.09,13]heptacosa-1(26),2,4,6(27),9,12,22,24-octaene-7,14-dione (CID 118641199) is 11-(oxan-4-yl)-18,21-dioxa-3,8,11,12,15,23-hexazatetracyclo[20.3.1.12,6.09,13]heptacosa-1(26),2,4,6(27),9,12,22,24-octaene-7,14-dione.
What is the SMILES notation for 11-(oxan-4-yl)-18,21-dioxa-3,8,11,12,15,23-hexazatetracyclo[20.3.1.12,6.09,13]heptacosa-1(26),2,4,6(27),9,12,22,24-octaene-7,14-dione?
The canonical SMILES for 11-(oxan-4-yl)-18,21-dioxa-3,8,11,12,15,23-hexazatetracyclo[20.3.1.12,6.09,13]heptacosa-1(26),2,4,6(27),9,12,22,24-octaene-7,14-dione is O=C1Nc2cn(C3CCOCC3)nc2C(=O)NCCOCCOc2cc(ccn2)-c2cc1ccn2.
What is the InChIKey of 11-(oxan-4-yl)-18,21-dioxa-3,8,11,12,15,23-hexazatetracyclo[20.3.1.12,6.09,13]heptacosa-1(26),2,4,6(27),9,12,22,24-octaene-7,14-dione?
The InChIKey is ALBFYLZCSOJWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O5/c31-23-17-2-5-25-19(13-17)16-1-6-26-21(14-16)35-12-11-34-10-7-27-24(32)22-20(28-23)15-30(29-22)18-3-8-33-9-4-18/h1-2,5-6,13-15,18H,3-4,7-12H2,(H,27,32)(H,28,31).
What are the key properties of 11-(oxan-4-yl)-18,21-dioxa-3,8,11,12,15,23-hexazatetracyclo[20.3.1.12,6.09,13]heptacosa-1(26),2,4,6(27),9,12,22,24-octaene-7,14-dione?
11-(oxan-4-yl)-18,21-dioxa-3,8,11,12,15,23-hexazatetracyclo[20.3.1.12,6.09,13]heptacosa-1(26),2,4,6(27),9,12,22,24-octaene-7,14-dione has a molecular weight of 478.51 g/mol, XLogP of 2.08, 1 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(oxan-4-yl)-18,21-dioxa-3,8,11,12,15,23-hexazatetracyclo[20.3.1.12,6.09,13]heptacosa-1(26),2,4,6(27),9,12,22,24-octaene-7,14-dione is sourced from PubChem (CID 118641199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).