17-(2,5-dioxopyrrolidin-1-yl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione

C22H16N2O4 — CID 2952807

IUPAC17-(2,5-dioxopyrrolidin-1-yl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
SMILESO=C1CCC(=O)N1N1C(=O)C2C3c4ccccc4C(c4ccccc43)C2C1=O
InChIInChI=1S/C22H16N2O4/c25-15-9-10-16(26)23(15)24-21(27)19-17-11-5-1-2-6-12(11)18(20(19)22(24)28)14-8-4-3-7-13(14)17/h1-8,17-20H,9-10H2
InChIKeyCOVQKGUPSPUWDR-UHFFFAOYSA-N
MW372.38 g/mol
LogP1.94
Rot. Bonds1

About 17-(2,5-dioxopyrrolidin-1-yl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione

17-(2,5-dioxopyrrolidin-1-yl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione (PubChem CID 2952807) has the molecular formula C22H16N2O4 and a molecular weight of 372.38 g/mol. Its IUPAC name is 17-(2,5-dioxopyrrolidin-1-yl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione.

Molecular Properties

Compound Name17-(2,5-dioxopyrrolidin-1-yl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
PubChem CID2952807
Molecular FormulaC22H16N2O4
Molecular Weight372.38 g/mol
Exact Mass372.11
IUPAC Name17-(2,5-dioxopyrrolidin-1-yl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
SMILESO=C1CCC(=O)N1N1C(=O)C2C3c4ccccc4C(c4ccccc43)C2C1=O
InChIInChI=1S/C22H16N2O4/c25-15-9-10-16(26)23(15)24-21(27)19-17-11-5-1-2-6-12(11)18(20(19)22(24)28)14-8-4-3-7-13(14)17/h1-8,17-20H,9-10H2
InChIKeyCOVQKGUPSPUWDR-UHFFFAOYSA-N
XLogP1.94
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 17-(2,5-dioxopyrrolidin-1-yl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 17-(2,5-dioxopyrrolidin-1-yl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione?
The IUPAC name of 17-(2,5-dioxopyrrolidin-1-yl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione (CID 2952807) is 17-(2,5-dioxopyrrolidin-1-yl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione.
What is the SMILES notation for 17-(2,5-dioxopyrrolidin-1-yl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione?
The canonical SMILES for 17-(2,5-dioxopyrrolidin-1-yl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione is O=C1CCC(=O)N1N1C(=O)C2C3c4ccccc4C(c4ccccc43)C2C1=O.
What is the InChIKey of 17-(2,5-dioxopyrrolidin-1-yl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione?
The InChIKey is COVQKGUPSPUWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O4/c25-15-9-10-16(26)23(15)24-21(27)19-17-11-5-1-2-6-12(11)18(20(19)22(24)28)14-8-4-3-7-13(14)17/h1-8,17-20H,9-10H2.
What are the key properties of 17-(2,5-dioxopyrrolidin-1-yl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione?
17-(2,5-dioxopyrrolidin-1-yl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione has a molecular weight of 372.38 g/mol, XLogP of 1.94, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 17-(2,5-dioxopyrrolidin-1-yl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione is sourced from PubChem (CID 2952807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).