2,2,2-trifluoro-N-(1,3,9-trimethyl-2,4-dioxobenzo[g]pteridin-8-yl)acetamide

C15H12F3N5O3 — CID 15988965

IUPAC2,2,2-trifluoro-N-(1,3,9-trimethyl-2,4-dioxobenzo[g]pteridin-8-yl)acetamide
SMILESCc1c(NC(=O)C(F)(F)F)ccc2nc3c(=O)n(C)c(=O)n(C)c3nc12
InChIInChI=1S/C15H12F3N5O3/c1-6-7(20-13(25)15(16,17)18)4-5-8-9(6)21-11-10(19-8)12(24)23(3)14(26)22(11)2/h4-5H,1-3H3,(H,20,25)
InChIKeyFWQUOOZXXFIIDJ-UHFFFAOYSA-N
MW367.29 g/mol
LogP0.99
Rot. Bonds1

About 2,2,2-trifluoro-N-(1,3,9-trimethyl-2,4-dioxobenzo[g]pteridin-8-yl)acetamide

2,2,2-trifluoro-N-(1,3,9-trimethyl-2,4-dioxobenzo[g]pteridin-8-yl)acetamide (PubChem CID 15988965) has the molecular formula C15H12F3N5O3 and a molecular weight of 367.29 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(1,3,9-trimethyl-2,4-dioxobenzo[g]pteridin-8-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(1,3,9-trimethyl-2,4-dioxobenzo[g]pteridin-8-yl)acetamide
PubChem CID15988965
Molecular FormulaC15H12F3N5O3
Molecular Weight367.29 g/mol
Exact Mass367.09
IUPAC Name2,2,2-trifluoro-N-(1,3,9-trimethyl-2,4-dioxobenzo[g]pteridin-8-yl)acetamide
SMILESCc1c(NC(=O)C(F)(F)F)ccc2nc3c(=O)n(C)c(=O)n(C)c3nc12
InChIInChI=1S/C15H12F3N5O3/c1-6-7(20-13(25)15(16,17)18)4-5-8-9(6)21-11-10(19-8)12(24)23(3)14(26)22(11)2/h4-5H,1-3H3,(H,20,25)
InChIKeyFWQUOOZXXFIIDJ-UHFFFAOYSA-N
XLogP0.99
TPSA98.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.29
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(1,3,9-trimethyl-2,4-dioxobenzo[g]pteridin-8-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(1,3,9-trimethyl-2,4-dioxobenzo[g]pteridin-8-yl)acetamide (CID 15988965) is 2,2,2-trifluoro-N-(1,3,9-trimethyl-2,4-dioxobenzo[g]pteridin-8-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(1,3,9-trimethyl-2,4-dioxobenzo[g]pteridin-8-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(1,3,9-trimethyl-2,4-dioxobenzo[g]pteridin-8-yl)acetamide is Cc1c(NC(=O)C(F)(F)F)ccc2nc3c(=O)n(C)c(=O)n(C)c3nc12.
What is the InChIKey of 2,2,2-trifluoro-N-(1,3,9-trimethyl-2,4-dioxobenzo[g]pteridin-8-yl)acetamide?
The InChIKey is FWQUOOZXXFIIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N5O3/c1-6-7(20-13(25)15(16,17)18)4-5-8-9(6)21-11-10(19-8)12(24)23(3)14(26)22(11)2/h4-5H,1-3H3,(H,20,25).
What are the key properties of 2,2,2-trifluoro-N-(1,3,9-trimethyl-2,4-dioxobenzo[g]pteridin-8-yl)acetamide?
2,2,2-trifluoro-N-(1,3,9-trimethyl-2,4-dioxobenzo[g]pteridin-8-yl)acetamide has a molecular weight of 367.29 g/mol, XLogP of 0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(1,3,9-trimethyl-2,4-dioxobenzo[g]pteridin-8-yl)acetamide is sourced from PubChem (CID 15988965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).