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

C24H22N2O4 — CID 2936472

IUPAC17-(2-morpholin-4-yl-2-oxoethyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
SMILESO=C(CN1C(=O)C2C3c4ccccc4C(c4ccccc43)C2C1=O)N1CCOCC1
InChIInChI=1S/C24H22N2O4/c27-18(25-9-11-30-12-10-25)13-26-23(28)21-19-14-5-1-2-6-15(14)20(22(21)24(26)29)17-8-4-3-7-16(17)19/h1-8,19-22H,9-13H2
InChIKeyPUAWBTKURBGXDX-UHFFFAOYSA-N
MW402.45 g/mol
LogP1.74
Rot. Bonds2

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

17-(2-morpholin-4-yl-2-oxoethyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione (PubChem CID 2936472) has the molecular formula C24H22N2O4 and a molecular weight of 402.45 g/mol. Its IUPAC name is 17-(2-morpholin-4-yl-2-oxoethyl)-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-morpholin-4-yl-2-oxoethyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
PubChem CID2936472
Molecular FormulaC24H22N2O4
Molecular Weight402.45 g/mol
Exact Mass402.16
IUPAC Name17-(2-morpholin-4-yl-2-oxoethyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
SMILESO=C(CN1C(=O)C2C3c4ccccc4C(c4ccccc43)C2C1=O)N1CCOCC1
InChIInChI=1S/C24H22N2O4/c27-18(25-9-11-30-12-10-25)13-26-23(28)21-19-14-5-1-2-6-15(14)20(22(21)24(26)29)17-8-4-3-7-16(17)19/h1-8,19-22H,9-13H2
InChIKeyPUAWBTKURBGXDX-UHFFFAOYSA-N
XLogP1.74
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 17-(2-morpholin-4-yl-2-oxoethyl)-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-morpholin-4-yl-2-oxoethyl)-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-morpholin-4-yl-2-oxoethyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione (CID 2936472) is 17-(2-morpholin-4-yl-2-oxoethyl)-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-morpholin-4-yl-2-oxoethyl)-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-morpholin-4-yl-2-oxoethyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione is O=C(CN1C(=O)C2C3c4ccccc4C(c4ccccc43)C2C1=O)N1CCOCC1.
What is the InChIKey of 17-(2-morpholin-4-yl-2-oxoethyl)-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 PUAWBTKURBGXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4/c27-18(25-9-11-30-12-10-25)13-26-23(28)21-19-14-5-1-2-6-15(14)20(22(21)24(26)29)17-8-4-3-7-16(17)19/h1-8,19-22H,9-13H2.
What are the key properties of 17-(2-morpholin-4-yl-2-oxoethyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione?
17-(2-morpholin-4-yl-2-oxoethyl)-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 402.45 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 17-(2-morpholin-4-yl-2-oxoethyl)-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 2936472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).