3,23-dioxa-11,15-diazatetracyclo[23.3.1.04,9.017,22]nonacosa-1(29),4,6,8,17,19,21,25,27-nonaene-10,16-dione

C25H24N2O4 — CID 101014780

IUPAC3,23-dioxa-11,15-diazatetracyclo[23.3.1.04,9.017,22]nonacosa-1(29),4,6,8,17,19,21,25,27-nonaene-10,16-dione
SMILESO=C1NCCCNC(=O)c2ccccc2OCc2cccc(c2)COc2ccccc21
InChIInChI=1S/C25H24N2O4/c28-24-20-9-1-3-11-22(20)30-16-18-7-5-8-19(15-18)17-31-23-12-4-2-10-21(23)25(29)27-14-6-13-26-24/h1-5,7-12,15H,6,13-14,16-17H2,(H,26,28)(H,27,29)
InChIKeyXXRVNJBRHMFXEW-UHFFFAOYSA-N
MW416.48 g/mol
LogP3.71
Rot. Bonds

About 3,23-dioxa-11,15-diazatetracyclo[23.3.1.04,9.017,22]nonacosa-1(29),4,6,8,17,19,21,25,27-nonaene-10,16-dione

3,23-dioxa-11,15-diazatetracyclo[23.3.1.04,9.017,22]nonacosa-1(29),4,6,8,17,19,21,25,27-nonaene-10,16-dione (PubChem CID 101014780) has the molecular formula C25H24N2O4 and a molecular weight of 416.48 g/mol. Its IUPAC name is 3,23-dioxa-11,15-diazatetracyclo[23.3.1.04,9.017,22]nonacosa-1(29),4,6,8,17,19,21,25,27-nonaene-10,16-dione.

Molecular Properties

Compound Name3,23-dioxa-11,15-diazatetracyclo[23.3.1.04,9.017,22]nonacosa-1(29),4,6,8,17,19,21,25,27-nonaene-10,16-dione
PubChem CID101014780
Molecular FormulaC25H24N2O4
Molecular Weight416.48 g/mol
Exact Mass416.17
IUPAC Name3,23-dioxa-11,15-diazatetracyclo[23.3.1.04,9.017,22]nonacosa-1(29),4,6,8,17,19,21,25,27-nonaene-10,16-dione
SMILESO=C1NCCCNC(=O)c2ccccc2OCc2cccc(c2)COc2ccccc21
InChIInChI=1S/C25H24N2O4/c28-24-20-9-1-3-11-22(20)30-16-18-7-5-8-19(15-18)17-31-23-12-4-2-10-21(23)25(29)27-14-6-13-26-24/h1-5,7-12,15H,6,13-14,16-17H2,(H,26,28)(H,27,29)
InChIKeyXXRVNJBRHMFXEW-UHFFFAOYSA-N
XLogP3.71
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3,23-dioxa-11,15-diazatetracyclo[23.3.1.04,9.017,22]nonacosa-1(29),4,6,8,17,19,21,25,27-nonaene-10,16-dione with MolForge

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Related Compounds

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CID 177446883
2,5,8,11,22,25-hexaoxa-19,28-diazatricyclo[28.4.0.012,17]tetratriaconta-1(34),12,14,16,30,32-hexaene-18,29-dione
CID 10505622
2,5,8,19,22-pentaoxa-16,25-diazatricyclo[25.4.0.09,14]hentriaconta-1(31),9,11,13,27,29-hexaene-15,26-dione
CID 100985413
2,5,8-trioxa-16,19,22-triazatricyclo[22.4.0.09,14]octacosa-1(28),9,11,13,24,26-hexaene-15,23-dione
CID 15209318
28-methoxy-26-methyl-3,22-dioxa-11,14-diazatetracyclo[22.3.1.04,9.016,21]octacosa-1(27),4,6,8,16,18,20,24(28),25-nonaene-10,15-dione
CID 102074227
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Frequently Asked Questions

What is the IUPAC name of 3,23-dioxa-11,15-diazatetracyclo[23.3.1.04,9.017,22]nonacosa-1(29),4,6,8,17,19,21,25,27-nonaene-10,16-dione?
The IUPAC name of 3,23-dioxa-11,15-diazatetracyclo[23.3.1.04,9.017,22]nonacosa-1(29),4,6,8,17,19,21,25,27-nonaene-10,16-dione (CID 101014780) is 3,23-dioxa-11,15-diazatetracyclo[23.3.1.04,9.017,22]nonacosa-1(29),4,6,8,17,19,21,25,27-nonaene-10,16-dione.
What is the SMILES notation for 3,23-dioxa-11,15-diazatetracyclo[23.3.1.04,9.017,22]nonacosa-1(29),4,6,8,17,19,21,25,27-nonaene-10,16-dione?
The canonical SMILES for 3,23-dioxa-11,15-diazatetracyclo[23.3.1.04,9.017,22]nonacosa-1(29),4,6,8,17,19,21,25,27-nonaene-10,16-dione is O=C1NCCCNC(=O)c2ccccc2OCc2cccc(c2)COc2ccccc21.
What is the InChIKey of 3,23-dioxa-11,15-diazatetracyclo[23.3.1.04,9.017,22]nonacosa-1(29),4,6,8,17,19,21,25,27-nonaene-10,16-dione?
The InChIKey is XXRVNJBRHMFXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O4/c28-24-20-9-1-3-11-22(20)30-16-18-7-5-8-19(15-18)17-31-23-12-4-2-10-21(23)25(29)27-14-6-13-26-24/h1-5,7-12,15H,6,13-14,16-17H2,(H,26,28)(H,27,29).
What are the key properties of 3,23-dioxa-11,15-diazatetracyclo[23.3.1.04,9.017,22]nonacosa-1(29),4,6,8,17,19,21,25,27-nonaene-10,16-dione?
3,23-dioxa-11,15-diazatetracyclo[23.3.1.04,9.017,22]nonacosa-1(29),4,6,8,17,19,21,25,27-nonaene-10,16-dione has a molecular weight of 416.48 g/mol, XLogP of 3.71, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,23-dioxa-11,15-diazatetracyclo[23.3.1.04,9.017,22]nonacosa-1(29),4,6,8,17,19,21,25,27-nonaene-10,16-dione is sourced from PubChem (CID 101014780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).