15-(2-pyridin-2-ylethyl)-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione

C23H16N2O2 — CID 10383361

IUPAC15-(2-pyridin-2-ylethyl)-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione
SMILESO=C1c2cccc3cc4ccccc4c(c23)C(=O)N1CCc1ccccn1
InChIInChI=1S/C23H16N2O2/c26-22-19-10-5-7-16-14-15-6-1-2-9-18(15)21(20(16)19)23(27)25(22)13-11-17-8-3-4-12-24-17/h1-10,12,14H,11,13H2
InChIKeyHJFSVFWGNKOKKM-UHFFFAOYSA-N
MW352.39 g/mol
LogP4.23
Rot. Bonds3

About 15-(2-pyridin-2-ylethyl)-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione

15-(2-pyridin-2-ylethyl)-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione (PubChem CID 10383361) has the molecular formula C23H16N2O2 and a molecular weight of 352.39 g/mol. Its IUPAC name is 15-(2-pyridin-2-ylethyl)-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione.

Molecular Properties

Compound Name15-(2-pyridin-2-ylethyl)-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione
PubChem CID10383361
Molecular FormulaC23H16N2O2
Molecular Weight352.39 g/mol
Exact Mass352.12
IUPAC Name15-(2-pyridin-2-ylethyl)-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione
SMILESO=C1c2cccc3cc4ccccc4c(c23)C(=O)N1CCc1ccccn1
InChIInChI=1S/C23H16N2O2/c26-22-19-10-5-7-16-14-15-6-1-2-9-18(15)21(20(16)19)23(27)25(22)13-11-17-8-3-4-12-24-17/h1-10,12,14H,11,13H2
InChIKeyHJFSVFWGNKOKKM-UHFFFAOYSA-N
XLogP4.23
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 15-(2-pyridin-2-ylethyl)-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 15-(2-pyridin-2-ylethyl)-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione?
The IUPAC name of 15-(2-pyridin-2-ylethyl)-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione (CID 10383361) is 15-(2-pyridin-2-ylethyl)-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione.
What is the SMILES notation for 15-(2-pyridin-2-ylethyl)-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione?
The canonical SMILES for 15-(2-pyridin-2-ylethyl)-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione is O=C1c2cccc3cc4ccccc4c(c23)C(=O)N1CCc1ccccn1.
What is the InChIKey of 15-(2-pyridin-2-ylethyl)-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione?
The InChIKey is HJFSVFWGNKOKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2O2/c26-22-19-10-5-7-16-14-15-6-1-2-9-18(15)21(20(16)19)23(27)25(22)13-11-17-8-3-4-12-24-17/h1-10,12,14H,11,13H2.
What are the key properties of 15-(2-pyridin-2-ylethyl)-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione?
15-(2-pyridin-2-ylethyl)-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione has a molecular weight of 352.39 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 15-(2-pyridin-2-ylethyl)-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione is sourced from PubChem (CID 10383361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).