4,7-dimethyl-9,12-dioxo-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide

C14H18N4O3 — CID 140685439

IUPAC4,7-dimethyl-9,12-dioxo-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide
SMILESCC1CCN(C)C2Cn3cc(C(N)=O)c(=O)cc3C(=O)N12
InChIInChI=1S/C14H18N4O3/c1-8-3-4-16(2)12-7-17-6-9(13(15)20)11(19)5-10(17)14(21)18(8)12/h5-6,8,12H,3-4,7H2,1-2H3,(H2,15,20)
InChIKeyUGTKMOIADXNYLJ-UHFFFAOYSA-N
MW290.32 g/mol
LogP-0.55
Rot. Bonds1

About 4,7-dimethyl-9,12-dioxo-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide

4,7-dimethyl-9,12-dioxo-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide (PubChem CID 140685439) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 4,7-dimethyl-9,12-dioxo-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide.

Molecular Properties

Compound Name4,7-dimethyl-9,12-dioxo-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide
PubChem CID140685439
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name4,7-dimethyl-9,12-dioxo-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide
SMILESCC1CCN(C)C2Cn3cc(C(N)=O)c(=O)cc3C(=O)N12
InChIInChI=1S/C14H18N4O3/c1-8-3-4-16(2)12-7-17-6-9(13(15)20)11(19)5-10(17)14(21)18(8)12/h5-6,8,12H,3-4,7H2,1-2H3,(H2,15,20)
InChIKeyUGTKMOIADXNYLJ-UHFFFAOYSA-N
XLogP-0.55
TPSA88.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyl-9,12-dioxo-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide?
The IUPAC name of 4,7-dimethyl-9,12-dioxo-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide (CID 140685439) is 4,7-dimethyl-9,12-dioxo-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide.
What is the SMILES notation for 4,7-dimethyl-9,12-dioxo-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide?
The canonical SMILES for 4,7-dimethyl-9,12-dioxo-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide is CC1CCN(C)C2Cn3cc(C(N)=O)c(=O)cc3C(=O)N12.
What is the InChIKey of 4,7-dimethyl-9,12-dioxo-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide?
The InChIKey is UGTKMOIADXNYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-8-3-4-16(2)12-7-17-6-9(13(15)20)11(19)5-10(17)14(21)18(8)12/h5-6,8,12H,3-4,7H2,1-2H3,(H2,15,20).
What are the key properties of 4,7-dimethyl-9,12-dioxo-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide?
4,7-dimethyl-9,12-dioxo-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide has a molecular weight of 290.32 g/mol, XLogP of -0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethyl-9,12-dioxo-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide is sourced from PubChem (CID 140685439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).