15-[2-(diethylamino)acetyl]-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione

C23H23N3O3 — CID 10200345

IUPAC15-[2-(diethylamino)acetyl]-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione
SMILESCCN(CC)CC(=O)c1ccc2[nH]c3c4c(c5c(c3c2c1)C(=O)NC5=O)CCC4
InChIInChI=1S/C23H23N3O3/c1-3-26(4-2)11-17(27)12-8-9-16-15(10-12)18-20-19(22(28)25-23(20)29)13-6-5-7-14(13)21(18)24-16/h8-10,24H,3-7,11H2,1-2H3,(H,25,28,29)
InChIKeyZRULQYQOFNOCQL-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.22
Rot. Bonds5

About 15-[2-(diethylamino)acetyl]-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione

15-[2-(diethylamino)acetyl]-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione (PubChem CID 10200345) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is 15-[2-(diethylamino)acetyl]-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione.

Molecular Properties

Compound Name15-[2-(diethylamino)acetyl]-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione
PubChem CID10200345
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name15-[2-(diethylamino)acetyl]-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione
SMILESCCN(CC)CC(=O)c1ccc2[nH]c3c4c(c5c(c3c2c1)C(=O)NC5=O)CCC4
InChIInChI=1S/C23H23N3O3/c1-3-26(4-2)11-17(27)12-8-9-16-15(10-12)18-20-19(22(28)25-23(20)29)13-6-5-7-14(13)21(18)24-16/h8-10,24H,3-7,11H2,1-2H3,(H,25,28,29)
InChIKeyZRULQYQOFNOCQL-UHFFFAOYSA-N
XLogP3.22
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 15-[2-(diethylamino)acetyl]-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 15-[2-(diethylamino)acetyl]-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione?
The IUPAC name of 15-[2-(diethylamino)acetyl]-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione (CID 10200345) is 15-[2-(diethylamino)acetyl]-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione.
What is the SMILES notation for 15-[2-(diethylamino)acetyl]-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione?
The canonical SMILES for 15-[2-(diethylamino)acetyl]-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione is CCN(CC)CC(=O)c1ccc2[nH]c3c4c(c5c(c3c2c1)C(=O)NC5=O)CCC4.
What is the InChIKey of 15-[2-(diethylamino)acetyl]-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione?
The InChIKey is ZRULQYQOFNOCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-3-26(4-2)11-17(27)12-8-9-16-15(10-12)18-20-19(22(28)25-23(20)29)13-6-5-7-14(13)21(18)24-16/h8-10,24H,3-7,11H2,1-2H3,(H,25,28,29).
What are the key properties of 15-[2-(diethylamino)acetyl]-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione?
15-[2-(diethylamino)acetyl]-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione has a molecular weight of 389.46 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 15-[2-(diethylamino)acetyl]-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione is sourced from PubChem (CID 10200345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).