22-ethyl-22-azahexacyclo[6.6.6.31,8.02,7.09,14.015,20]tricosa-2,4,6,9,11,13,15,17,19-nonaene-21,23-dione

C24H17NO2 — CID 102027308

IUPAC22-ethyl-22-azahexacyclo[6.6.6.31,8.02,7.09,14.015,20]tricosa-2,4,6,9,11,13,15,17,19-nonaene-21,23-dione
SMILESCCN1C(=O)C23c4ccccc4C(C1=O)(c1ccccc12)c1ccccc13
InChIInChI=1S/C24H17NO2/c1-2-25-21(26)23-15-9-3-4-10-16(15)24(22(25)27,19-13-7-5-11-17(19)23)20-14-8-6-12-18(20)23/h3-14H,2H2,1H3
InChIKeyIQJOHYGEDGHQCJ-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.37
Rot. Bonds1

About 22-ethyl-22-azahexacyclo[6.6.6.31,8.02,7.09,14.015,20]tricosa-2,4,6,9,11,13,15,17,19-nonaene-21,23-dione

22-ethyl-22-azahexacyclo[6.6.6.31,8.02,7.09,14.015,20]tricosa-2,4,6,9,11,13,15,17,19-nonaene-21,23-dione (PubChem CID 102027308) has the molecular formula C24H17NO2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 22-ethyl-22-azahexacyclo[6.6.6.31,8.02,7.09,14.015,20]tricosa-2,4,6,9,11,13,15,17,19-nonaene-21,23-dione.

Molecular Properties

Compound Name22-ethyl-22-azahexacyclo[6.6.6.31,8.02,7.09,14.015,20]tricosa-2,4,6,9,11,13,15,17,19-nonaene-21,23-dione
PubChem CID102027308
Molecular FormulaC24H17NO2
Molecular Weight351.41 g/mol
Exact Mass351.13
IUPAC Name22-ethyl-22-azahexacyclo[6.6.6.31,8.02,7.09,14.015,20]tricosa-2,4,6,9,11,13,15,17,19-nonaene-21,23-dione
SMILESCCN1C(=O)C23c4ccccc4C(C1=O)(c1ccccc12)c1ccccc13
InChIInChI=1S/C24H17NO2/c1-2-25-21(26)23-15-9-3-4-10-16(15)24(22(25)27,19-13-7-5-11-17(19)23)20-14-8-6-12-18(20)23/h3-14H,2H2,1H3
InChIKeyIQJOHYGEDGHQCJ-UHFFFAOYSA-N
XLogP3.37
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 22-ethyl-22-azahexacyclo[6.6.6.31,8.02,7.09,14.015,20]tricosa-2,4,6,9,11,13,15,17,19-nonaene-21,23-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 22-ethyl-22-azahexacyclo[6.6.6.31,8.02,7.09,14.015,20]tricosa-2,4,6,9,11,13,15,17,19-nonaene-21,23-dione?
The IUPAC name of 22-ethyl-22-azahexacyclo[6.6.6.31,8.02,7.09,14.015,20]tricosa-2,4,6,9,11,13,15,17,19-nonaene-21,23-dione (CID 102027308) is 22-ethyl-22-azahexacyclo[6.6.6.31,8.02,7.09,14.015,20]tricosa-2,4,6,9,11,13,15,17,19-nonaene-21,23-dione.
What is the SMILES notation for 22-ethyl-22-azahexacyclo[6.6.6.31,8.02,7.09,14.015,20]tricosa-2,4,6,9,11,13,15,17,19-nonaene-21,23-dione?
The canonical SMILES for 22-ethyl-22-azahexacyclo[6.6.6.31,8.02,7.09,14.015,20]tricosa-2,4,6,9,11,13,15,17,19-nonaene-21,23-dione is CCN1C(=O)C23c4ccccc4C(C1=O)(c1ccccc12)c1ccccc13.
What is the InChIKey of 22-ethyl-22-azahexacyclo[6.6.6.31,8.02,7.09,14.015,20]tricosa-2,4,6,9,11,13,15,17,19-nonaene-21,23-dione?
The InChIKey is IQJOHYGEDGHQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17NO2/c1-2-25-21(26)23-15-9-3-4-10-16(15)24(22(25)27,19-13-7-5-11-17(19)23)20-14-8-6-12-18(20)23/h3-14H,2H2,1H3.
What are the key properties of 22-ethyl-22-azahexacyclo[6.6.6.31,8.02,7.09,14.015,20]tricosa-2,4,6,9,11,13,15,17,19-nonaene-21,23-dione?
22-ethyl-22-azahexacyclo[6.6.6.31,8.02,7.09,14.015,20]tricosa-2,4,6,9,11,13,15,17,19-nonaene-21,23-dione has a molecular weight of 351.41 g/mol, XLogP of 3.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 22-ethyl-22-azahexacyclo[6.6.6.31,8.02,7.09,14.015,20]tricosa-2,4,6,9,11,13,15,17,19-nonaene-21,23-dione is sourced from PubChem (CID 102027308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).