5,9,14,18-tetramethyl-1,4,10,13-tetrazacyclooctadeca-4,9,13,18-tetraene-7,16-dione

C18H28N4O2 — CID 630374

IUPAC5,9,14,18-tetramethyl-1,4,10,13-tetrazacyclooctadeca-4,9,13,18-tetraene-7,16-dione
SMILESC/C1=N\CC/N=C(\C)CC(=O)C/C(C)=N/CC/N=C(\C)CC(=O)C1
InChIInChI=1S/C18H28N4O2/c1-13-9-17(23)10-14(2)21-7-8-22-16(4)12-18(24)11-15(3)20-6-5-19-13/h5-12H2,1-4H3/b19-13+,20-15+,21-14+,22-16+
InChIKeyAIDRLNNCSWUZCQ-GJQKUNNFSA-N
MW332.45 g/mol
LogP2.54
Rot. Bonds

About 5,9,14,18-tetramethyl-1,4,10,13-tetrazacyclooctadeca-4,9,13,18-tetraene-7,16-dione

5,9,14,18-tetramethyl-1,4,10,13-tetrazacyclooctadeca-4,9,13,18-tetraene-7,16-dione (PubChem CID 630374) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 5,9,14,18-tetramethyl-1,4,10,13-tetrazacyclooctadeca-4,9,13,18-tetraene-7,16-dione.

Molecular Properties

Compound Name5,9,14,18-tetramethyl-1,4,10,13-tetrazacyclooctadeca-4,9,13,18-tetraene-7,16-dione
PubChem CID630374
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name5,9,14,18-tetramethyl-1,4,10,13-tetrazacyclooctadeca-4,9,13,18-tetraene-7,16-dione
SMILESC/C1=N\CC/N=C(\C)CC(=O)C/C(C)=N/CC/N=C(\C)CC(=O)C1
InChIInChI=1S/C18H28N4O2/c1-13-9-17(23)10-14(2)21-7-8-22-16(4)12-18(24)11-15(3)20-6-5-19-13/h5-12H2,1-4H3/b19-13+,20-15+,21-14+,22-16+
InChIKeyAIDRLNNCSWUZCQ-GJQKUNNFSA-N
XLogP2.54
TPSA83.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5,9,14,18-tetramethyl-1,4,10,13-tetrazacyclooctadeca-4,9,13,18-tetraene-7,16-dione with MolForge

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Related Compounds

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4-[2-(4-Oxopentan-2-ylideneamino)propylimino]pentan-2-one
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4-Propyliminohexan-3-one
CID 85789809
[N,N'-ethylene-bis(6-methyl-4-oxoheptan-2-imine)]
CID 100946255
4,6,9-Trimethyl-5,8-diaza-4,8-dodecadiene-2,3,10,11-tetraone
CID 129731668
4-[4-(4-Oxopentan-2-ylideneamino)butylimino]pentan-2-one
CID 227168
Copper;4-[2-(4-oxopentan-2-ylideneamino)ethylimino]pentan-2-one
CID 24182967
2-[2,2-Dimethyl-3-(3-oxohexan-2-ylideneamino)propyl]iminohexan-3-one
CID 57118121
2-[3-(3-Oxohexan-2-ylideneamino)propylimino]hexan-3-one
CID 57187305
3-[3-(2-Oxopentan-3-ylideneamino)propylimino]pentan-2-one
CID 57263463
Cobalt;4-[2-(4-oxopentan-2-ylideneamino)ethylimino]pentan-2-one
CID 88194660
2-Propan-2-yliminoheptan-4-one
CID 139343069

Frequently Asked Questions

What is the IUPAC name of 5,9,14,18-tetramethyl-1,4,10,13-tetrazacyclooctadeca-4,9,13,18-tetraene-7,16-dione?
The IUPAC name of 5,9,14,18-tetramethyl-1,4,10,13-tetrazacyclooctadeca-4,9,13,18-tetraene-7,16-dione (CID 630374) is 5,9,14,18-tetramethyl-1,4,10,13-tetrazacyclooctadeca-4,9,13,18-tetraene-7,16-dione.
What is the SMILES notation for 5,9,14,18-tetramethyl-1,4,10,13-tetrazacyclooctadeca-4,9,13,18-tetraene-7,16-dione?
The canonical SMILES for 5,9,14,18-tetramethyl-1,4,10,13-tetrazacyclooctadeca-4,9,13,18-tetraene-7,16-dione is C/C1=N\CC/N=C(\C)CC(=O)C/C(C)=N/CC/N=C(\C)CC(=O)C1.
What is the InChIKey of 5,9,14,18-tetramethyl-1,4,10,13-tetrazacyclooctadeca-4,9,13,18-tetraene-7,16-dione?
The InChIKey is AIDRLNNCSWUZCQ-GJQKUNNFSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-13-9-17(23)10-14(2)21-7-8-22-16(4)12-18(24)11-15(3)20-6-5-19-13/h5-12H2,1-4H3/b19-13+,20-15+,21-14+,22-16+.
What are the key properties of 5,9,14,18-tetramethyl-1,4,10,13-tetrazacyclooctadeca-4,9,13,18-tetraene-7,16-dione?
5,9,14,18-tetramethyl-1,4,10,13-tetrazacyclooctadeca-4,9,13,18-tetraene-7,16-dione has a molecular weight of 332.45 g/mol, XLogP of 2.54, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,9,14,18-tetramethyl-1,4,10,13-tetrazacyclooctadeca-4,9,13,18-tetraene-7,16-dione is sourced from PubChem (CID 630374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).