17-oxa-4,14,20-triazahexacyclo[18.6.1.17,14.02,6.08,13.021,26]octacosa-1(27),2(6),7(28),8,10,12,21,23,25-nonaene-3,5-dione

C24H19N3O3 — CID 10982189

IUPAC17-oxa-4,14,20-triazahexacyclo[18.6.1.17,14.02,6.08,13.021,26]octacosa-1(27),2(6),7(28),8,10,12,21,23,25-nonaene-3,5-dione
SMILESO=C1NC(=O)C2=C1c1cn(c3ccccc13)CCOCCn1cc2c2ccccc21
InChIInChI=1S/C24H19N3O3/c28-23-21-17-13-26(19-7-3-1-5-15(17)19)9-11-30-12-10-27-14-18(22(21)24(29)25-23)16-6-2-4-8-20(16)27/h1-8,13-14H,9-12H2,(H,25,28,29)
InChIKeyJQCFJDGLRIUQID-UHFFFAOYSA-N
MW397.43 g/mol
LogP3.19
Rot. Bonds

About 17-oxa-4,14,20-triazahexacyclo[18.6.1.17,14.02,6.08,13.021,26]octacosa-1(27),2(6),7(28),8,10,12,21,23,25-nonaene-3,5-dione

17-oxa-4,14,20-triazahexacyclo[18.6.1.17,14.02,6.08,13.021,26]octacosa-1(27),2(6),7(28),8,10,12,21,23,25-nonaene-3,5-dione (PubChem CID 10982189) has the molecular formula C24H19N3O3 and a molecular weight of 397.43 g/mol. Its IUPAC name is 17-oxa-4,14,20-triazahexacyclo[18.6.1.17,14.02,6.08,13.021,26]octacosa-1(27),2(6),7(28),8,10,12,21,23,25-nonaene-3,5-dione.

Molecular Properties

Compound Name17-oxa-4,14,20-triazahexacyclo[18.6.1.17,14.02,6.08,13.021,26]octacosa-1(27),2(6),7(28),8,10,12,21,23,25-nonaene-3,5-dione
PubChem CID10982189
Molecular FormulaC24H19N3O3
Molecular Weight397.43 g/mol
Exact Mass397.14
IUPAC Name17-oxa-4,14,20-triazahexacyclo[18.6.1.17,14.02,6.08,13.021,26]octacosa-1(27),2(6),7(28),8,10,12,21,23,25-nonaene-3,5-dione
SMILESO=C1NC(=O)C2=C1c1cn(c3ccccc13)CCOCCn1cc2c2ccccc21
InChIInChI=1S/C24H19N3O3/c28-23-21-17-13-26(19-7-3-1-5-15(17)19)9-11-30-12-10-27-14-18(22(21)24(29)25-23)16-6-2-4-8-20(16)27/h1-8,13-14H,9-12H2,(H,25,28,29)
InChIKeyJQCFJDGLRIUQID-UHFFFAOYSA-N
XLogP3.19
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 17-oxa-4,14,20-triazahexacyclo[18.6.1.17,14.02,6.08,13.021,26]octacosa-1(27),2(6),7(28),8,10,12,21,23,25-nonaene-3,5-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 17-oxa-4,14,20-triazahexacyclo[18.6.1.17,14.02,6.08,13.021,26]octacosa-1(27),2(6),7(28),8,10,12,21,23,25-nonaene-3,5-dione?
The IUPAC name of 17-oxa-4,14,20-triazahexacyclo[18.6.1.17,14.02,6.08,13.021,26]octacosa-1(27),2(6),7(28),8,10,12,21,23,25-nonaene-3,5-dione (CID 10982189) is 17-oxa-4,14,20-triazahexacyclo[18.6.1.17,14.02,6.08,13.021,26]octacosa-1(27),2(6),7(28),8,10,12,21,23,25-nonaene-3,5-dione.
What is the SMILES notation for 17-oxa-4,14,20-triazahexacyclo[18.6.1.17,14.02,6.08,13.021,26]octacosa-1(27),2(6),7(28),8,10,12,21,23,25-nonaene-3,5-dione?
The canonical SMILES for 17-oxa-4,14,20-triazahexacyclo[18.6.1.17,14.02,6.08,13.021,26]octacosa-1(27),2(6),7(28),8,10,12,21,23,25-nonaene-3,5-dione is O=C1NC(=O)C2=C1c1cn(c3ccccc13)CCOCCn1cc2c2ccccc21.
What is the InChIKey of 17-oxa-4,14,20-triazahexacyclo[18.6.1.17,14.02,6.08,13.021,26]octacosa-1(27),2(6),7(28),8,10,12,21,23,25-nonaene-3,5-dione?
The InChIKey is JQCFJDGLRIUQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O3/c28-23-21-17-13-26(19-7-3-1-5-15(17)19)9-11-30-12-10-27-14-18(22(21)24(29)25-23)16-6-2-4-8-20(16)27/h1-8,13-14H,9-12H2,(H,25,28,29).
What are the key properties of 17-oxa-4,14,20-triazahexacyclo[18.6.1.17,14.02,6.08,13.021,26]octacosa-1(27),2(6),7(28),8,10,12,21,23,25-nonaene-3,5-dione?
17-oxa-4,14,20-triazahexacyclo[18.6.1.17,14.02,6.08,13.021,26]octacosa-1(27),2(6),7(28),8,10,12,21,23,25-nonaene-3,5-dione has a molecular weight of 397.43 g/mol, XLogP of 3.19, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 17-oxa-4,14,20-triazahexacyclo[18.6.1.17,14.02,6.08,13.021,26]octacosa-1(27),2(6),7(28),8,10,12,21,23,25-nonaene-3,5-dione is sourced from PubChem (CID 10982189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).