2,10,15,23-tetrazapentacyclo[12.9.0.02,11.04,9.017,22]tricosa-1(23),17(22)-diene-3,16-dione

C19H26N4O2 — CID 24871083

IUPAC2,10,15,23-tetrazapentacyclo[12.9.0.02,11.04,9.017,22]tricosa-1(23),17(22)-diene-3,16-dione
SMILESO=C1NC2CCC3NC4CCCCC4C(=O)N3C2=NC2=C1CCCC2
InChIInChI=1S/C19H26N4O2/c24-18-11-5-1-3-7-13(11)21-17-15(22-18)9-10-16-20-14-8-4-2-6-12(14)19(25)23(16)17/h12,14-16,20H,1-10H2,(H,22,24)
InChIKeyXFRGNGVWHCFGNL-UHFFFAOYSA-N
MW342.44 g/mol
LogP1.82
Rot. Bonds

About 2,10,15,23-tetrazapentacyclo[12.9.0.02,11.04,9.017,22]tricosa-1(23),17(22)-diene-3,16-dione

2,10,15,23-tetrazapentacyclo[12.9.0.02,11.04,9.017,22]tricosa-1(23),17(22)-diene-3,16-dione (PubChem CID 24871083) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2,10,15,23-tetrazapentacyclo[12.9.0.02,11.04,9.017,22]tricosa-1(23),17(22)-diene-3,16-dione.

Molecular Properties

Compound Name2,10,15,23-tetrazapentacyclo[12.9.0.02,11.04,9.017,22]tricosa-1(23),17(22)-diene-3,16-dione
PubChem CID24871083
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name2,10,15,23-tetrazapentacyclo[12.9.0.02,11.04,9.017,22]tricosa-1(23),17(22)-diene-3,16-dione
SMILESO=C1NC2CCC3NC4CCCCC4C(=O)N3C2=NC2=C1CCCC2
InChIInChI=1S/C19H26N4O2/c24-18-11-5-1-3-7-13(11)21-17-15(22-18)9-10-16-20-14-8-4-2-6-12(14)19(25)23(16)17/h12,14-16,20H,1-10H2,(H,22,24)
InChIKeyXFRGNGVWHCFGNL-UHFFFAOYSA-N
XLogP1.82
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,10,15,23-tetrazapentacyclo[12.9.0.02,11.04,9.017,22]tricosa-1(23),17(22)-diene-3,16-dione?
The IUPAC name of 2,10,15,23-tetrazapentacyclo[12.9.0.02,11.04,9.017,22]tricosa-1(23),17(22)-diene-3,16-dione (CID 24871083) is 2,10,15,23-tetrazapentacyclo[12.9.0.02,11.04,9.017,22]tricosa-1(23),17(22)-diene-3,16-dione.
What is the SMILES notation for 2,10,15,23-tetrazapentacyclo[12.9.0.02,11.04,9.017,22]tricosa-1(23),17(22)-diene-3,16-dione?
The canonical SMILES for 2,10,15,23-tetrazapentacyclo[12.9.0.02,11.04,9.017,22]tricosa-1(23),17(22)-diene-3,16-dione is O=C1NC2CCC3NC4CCCCC4C(=O)N3C2=NC2=C1CCCC2.
What is the InChIKey of 2,10,15,23-tetrazapentacyclo[12.9.0.02,11.04,9.017,22]tricosa-1(23),17(22)-diene-3,16-dione?
The InChIKey is XFRGNGVWHCFGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c24-18-11-5-1-3-7-13(11)21-17-15(22-18)9-10-16-20-14-8-4-2-6-12(14)19(25)23(16)17/h12,14-16,20H,1-10H2,(H,22,24).
What are the key properties of 2,10,15,23-tetrazapentacyclo[12.9.0.02,11.04,9.017,22]tricosa-1(23),17(22)-diene-3,16-dione?
2,10,15,23-tetrazapentacyclo[12.9.0.02,11.04,9.017,22]tricosa-1(23),17(22)-diene-3,16-dione has a molecular weight of 342.44 g/mol, XLogP of 1.82, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,10,15,23-tetrazapentacyclo[12.9.0.02,11.04,9.017,22]tricosa-1(23),17(22)-diene-3,16-dione is sourced from PubChem (CID 24871083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).