4-(2-methoxyethyl)-9,12-dioxo-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide

C15H20N4O4 — CID 140647063

IUPAC4-(2-methoxyethyl)-9,12-dioxo-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide
SMILESCOCCN1CCCN2C(=O)c3cc(=O)c(C(N)=O)cn3CC12
InChIInChI=1S/C15H20N4O4/c1-23-6-5-17-3-2-4-19-13(17)9-18-8-10(14(16)21)12(20)7-11(18)15(19)22/h7-8,13H,2-6,9H2,1H3,(H2,16,21)
InChIKeyNUOOGBNRJGUIGD-UHFFFAOYSA-N
MW320.35 g/mol
LogP-0.92
Rot. Bonds4

About 4-(2-methoxyethyl)-9,12-dioxo-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide

4-(2-methoxyethyl)-9,12-dioxo-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide (PubChem CID 140647063) has the molecular formula C15H20N4O4 and a molecular weight of 320.35 g/mol. Its IUPAC name is 4-(2-methoxyethyl)-9,12-dioxo-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide.

Molecular Properties

Compound Name4-(2-methoxyethyl)-9,12-dioxo-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide
PubChem CID140647063
Molecular FormulaC15H20N4O4
Molecular Weight320.35 g/mol
Exact Mass320.15
IUPAC Name4-(2-methoxyethyl)-9,12-dioxo-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide
SMILESCOCCN1CCCN2C(=O)c3cc(=O)c(C(N)=O)cn3CC12
InChIInChI=1S/C15H20N4O4/c1-23-6-5-17-3-2-4-19-13(17)9-18-8-10(14(16)21)12(20)7-11(18)15(19)22/h7-8,13H,2-6,9H2,1H3,(H2,16,21)
InChIKeyNUOOGBNRJGUIGD-UHFFFAOYSA-N
XLogP-0.92
TPSA97.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 5-0.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethyl)-9,12-dioxo-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide?
The IUPAC name of 4-(2-methoxyethyl)-9,12-dioxo-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide (CID 140647063) is 4-(2-methoxyethyl)-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-(2-methoxyethyl)-9,12-dioxo-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide?
The canonical SMILES for 4-(2-methoxyethyl)-9,12-dioxo-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide is COCCN1CCCN2C(=O)c3cc(=O)c(C(N)=O)cn3CC12.
What is the InChIKey of 4-(2-methoxyethyl)-9,12-dioxo-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide?
The InChIKey is NUOOGBNRJGUIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O4/c1-23-6-5-17-3-2-4-19-13(17)9-18-8-10(14(16)21)12(20)7-11(18)15(19)22/h7-8,13H,2-6,9H2,1H3,(H2,16,21).
What are the key properties of 4-(2-methoxyethyl)-9,12-dioxo-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide?
4-(2-methoxyethyl)-9,12-dioxo-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide has a molecular weight of 320.35 g/mol, XLogP of -0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethyl)-9,12-dioxo-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide is sourced from PubChem (CID 140647063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).