2,6,14,20-tetrazatricyclo[19.5.0.07,13]hexacosa-1,6,8,10,12,21,23,25-octaene

C22H28N4 — CID 10876259

IUPAC2,6,14,20-tetrazatricyclo[19.5.0.07,13]hexacosa-1,6,8,10,12,21,23,25-octaene
SMILESC1=CC=C2NCCCCCNC3=CC=CC=C/C3=N\CCC/N=C/2C=C1
InChIInChI=1S/C22H28N4/c1-4-11-19-21(13-6-1)25-17-10-18-26-22-14-7-2-5-12-20(22)24-16-9-3-8-15-23-19/h1-2,4-7,11-14,23-24H,3,8-10,15-18H2/b25-21+,26-22+
InChIKeyUQJMETXXDSHAFK-CDTUYSNOSA-N
MW348.49 g/mol
LogP3.64
Rot. Bonds

About 2,6,14,20-tetrazatricyclo[19.5.0.07,13]hexacosa-1,6,8,10,12,21,23,25-octaene

2,6,14,20-tetrazatricyclo[19.5.0.07,13]hexacosa-1,6,8,10,12,21,23,25-octaene (PubChem CID 10876259) has the molecular formula C22H28N4 and a molecular weight of 348.49 g/mol. Its IUPAC name is 2,6,14,20-tetrazatricyclo[19.5.0.07,13]hexacosa-1,6,8,10,12,21,23,25-octaene.

Molecular Properties

Compound Name2,6,14,20-tetrazatricyclo[19.5.0.07,13]hexacosa-1,6,8,10,12,21,23,25-octaene
PubChem CID10876259
Molecular FormulaC22H28N4
Molecular Weight348.49 g/mol
Exact Mass348.23
IUPAC Name2,6,14,20-tetrazatricyclo[19.5.0.07,13]hexacosa-1,6,8,10,12,21,23,25-octaene
SMILESC1=CC=C2NCCCCCNC3=CC=CC=C/C3=N\CCC/N=C/2C=C1
InChIInChI=1S/C22H28N4/c1-4-11-19-21(13-6-1)25-17-10-18-26-22-14-7-2-5-12-20(22)24-16-9-3-8-15-23-19/h1-2,4-7,11-14,23-24H,3,8-10,15-18H2/b25-21+,26-22+
InChIKeyUQJMETXXDSHAFK-CDTUYSNOSA-N
XLogP3.64
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'colchicine_A(3)', 'substructure': 'N/A'}

Analyze 2,6,14,20-tetrazatricyclo[19.5.0.07,13]hexacosa-1,6,8,10,12,21,23,25-octaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,6,14,20-tetrazatricyclo[19.5.0.07,13]hexacosa-1,6,8,10,12,21,23,25-octaene?
The IUPAC name of 2,6,14,20-tetrazatricyclo[19.5.0.07,13]hexacosa-1,6,8,10,12,21,23,25-octaene (CID 10876259) is 2,6,14,20-tetrazatricyclo[19.5.0.07,13]hexacosa-1,6,8,10,12,21,23,25-octaene.
What is the SMILES notation for 2,6,14,20-tetrazatricyclo[19.5.0.07,13]hexacosa-1,6,8,10,12,21,23,25-octaene?
The canonical SMILES for 2,6,14,20-tetrazatricyclo[19.5.0.07,13]hexacosa-1,6,8,10,12,21,23,25-octaene is C1=CC=C2NCCCCCNC3=CC=CC=C/C3=N\CCC/N=C/2C=C1.
What is the InChIKey of 2,6,14,20-tetrazatricyclo[19.5.0.07,13]hexacosa-1,6,8,10,12,21,23,25-octaene?
The InChIKey is UQJMETXXDSHAFK-CDTUYSNOSA-N. The full InChI is InChI=1S/C22H28N4/c1-4-11-19-21(13-6-1)25-17-10-18-26-22-14-7-2-5-12-20(22)24-16-9-3-8-15-23-19/h1-2,4-7,11-14,23-24H,3,8-10,15-18H2/b25-21+,26-22+.
What are the key properties of 2,6,14,20-tetrazatricyclo[19.5.0.07,13]hexacosa-1,6,8,10,12,21,23,25-octaene?
2,6,14,20-tetrazatricyclo[19.5.0.07,13]hexacosa-1,6,8,10,12,21,23,25-octaene has a molecular weight of 348.49 g/mol, XLogP of 3.64, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,14,20-tetrazatricyclo[19.5.0.07,13]hexacosa-1,6,8,10,12,21,23,25-octaene is sourced from PubChem (CID 10876259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).