15,17,18,20-tetrazapentacyclo[12.3.3.01,14.02,7.08,13]icosa-2,4,6,8,10,12-hexaene-16,19-dione

C16H12N4O2 — CID 671858

IUPAC15,17,18,20-tetrazapentacyclo[12.3.3.01,14.02,7.08,13]icosa-2,4,6,8,10,12-hexaene-16,19-dione
SMILESO=C1NC23NC(=O)NC2(N1)c1ccccc1-c1ccccc13
InChIInChI=1S/C16H12N4O2/c21-13-17-15-11-7-3-1-5-9(11)10-6-2-4-8-12(10)16(15,19-13)20-14(22)18-15/h1-8H,(H2,17,19,21)(H2,18,20,22)
InChIKeyJWXQOALQCGHXAU-UHFFFAOYSA-N
MW292.30 g/mol
LogP1.30
Rot. Bonds

About 15,17,18,20-tetrazapentacyclo[12.3.3.01,14.02,7.08,13]icosa-2,4,6,8,10,12-hexaene-16,19-dione

15,17,18,20-tetrazapentacyclo[12.3.3.01,14.02,7.08,13]icosa-2,4,6,8,10,12-hexaene-16,19-dione (PubChem CID 671858) has the molecular formula C16H12N4O2 and a molecular weight of 292.30 g/mol. Its IUPAC name is 15,17,18,20-tetrazapentacyclo[12.3.3.01,14.02,7.08,13]icosa-2,4,6,8,10,12-hexaene-16,19-dione.

Molecular Properties

Compound Name15,17,18,20-tetrazapentacyclo[12.3.3.01,14.02,7.08,13]icosa-2,4,6,8,10,12-hexaene-16,19-dione
PubChem CID671858
Molecular FormulaC16H12N4O2
Molecular Weight292.30 g/mol
Exact Mass292.10
IUPAC Name15,17,18,20-tetrazapentacyclo[12.3.3.01,14.02,7.08,13]icosa-2,4,6,8,10,12-hexaene-16,19-dione
SMILESO=C1NC23NC(=O)NC2(N1)c1ccccc1-c1ccccc13
InChIInChI=1S/C16H12N4O2/c21-13-17-15-11-7-3-1-5-9(11)10-6-2-4-8-12(10)16(15,19-13)20-14(22)18-15/h1-8H,(H2,17,19,21)(H2,18,20,22)
InChIKeyJWXQOALQCGHXAU-UHFFFAOYSA-N
XLogP1.30
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 51.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Analyze 15,17,18,20-tetrazapentacyclo[12.3.3.01,14.02,7.08,13]icosa-2,4,6,8,10,12-hexaene-16,19-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 15,17,18,20-tetrazapentacyclo[12.3.3.01,14.02,7.08,13]icosa-2,4,6,8,10,12-hexaene-16,19-dione?
The IUPAC name of 15,17,18,20-tetrazapentacyclo[12.3.3.01,14.02,7.08,13]icosa-2,4,6,8,10,12-hexaene-16,19-dione (CID 671858) is 15,17,18,20-tetrazapentacyclo[12.3.3.01,14.02,7.08,13]icosa-2,4,6,8,10,12-hexaene-16,19-dione.
What is the SMILES notation for 15,17,18,20-tetrazapentacyclo[12.3.3.01,14.02,7.08,13]icosa-2,4,6,8,10,12-hexaene-16,19-dione?
The canonical SMILES for 15,17,18,20-tetrazapentacyclo[12.3.3.01,14.02,7.08,13]icosa-2,4,6,8,10,12-hexaene-16,19-dione is O=C1NC23NC(=O)NC2(N1)c1ccccc1-c1ccccc13.
What is the InChIKey of 15,17,18,20-tetrazapentacyclo[12.3.3.01,14.02,7.08,13]icosa-2,4,6,8,10,12-hexaene-16,19-dione?
The InChIKey is JWXQOALQCGHXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O2/c21-13-17-15-11-7-3-1-5-9(11)10-6-2-4-8-12(10)16(15,19-13)20-14(22)18-15/h1-8H,(H2,17,19,21)(H2,18,20,22).
What are the key properties of 15,17,18,20-tetrazapentacyclo[12.3.3.01,14.02,7.08,13]icosa-2,4,6,8,10,12-hexaene-16,19-dione?
15,17,18,20-tetrazapentacyclo[12.3.3.01,14.02,7.08,13]icosa-2,4,6,8,10,12-hexaene-16,19-dione has a molecular weight of 292.30 g/mol, XLogP of 1.30, 0 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15,17,18,20-tetrazapentacyclo[12.3.3.01,14.02,7.08,13]icosa-2,4,6,8,10,12-hexaene-16,19-dione is sourced from PubChem (CID 671858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).