2-(5-ethyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-(2-methoxyethyl)acetamide

C16H19N5O3 — CID 46950540

IUPAC2-(5-ethyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-(2-methoxyethyl)acetamide
SMILESCCc1nc2ccccc2c2nn(CC(=O)NCCOC)c(=O)n12
InChIInChI=1S/C16H19N5O3/c1-3-13-18-12-7-5-4-6-11(12)15-19-20(16(23)21(13)15)10-14(22)17-8-9-24-2/h4-7H,3,8-10H2,1-2H3,(H,17,22)
InChIKeyBBWTWNDZNSITHX-UHFFFAOYSA-N
MW329.36 g/mol
LogP0.37
Rot. Bonds6

About 2-(5-ethyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-(2-methoxyethyl)acetamide

2-(5-ethyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-(2-methoxyethyl)acetamide (PubChem CID 46950540) has the molecular formula C16H19N5O3 and a molecular weight of 329.36 g/mol. Its IUPAC name is 2-(5-ethyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-(5-ethyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-(2-methoxyethyl)acetamide
PubChem CID46950540
Molecular FormulaC16H19N5O3
Molecular Weight329.36 g/mol
Exact Mass329.15
IUPAC Name2-(5-ethyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-(2-methoxyethyl)acetamide
SMILESCCc1nc2ccccc2c2nn(CC(=O)NCCOC)c(=O)n12
InChIInChI=1S/C16H19N5O3/c1-3-13-18-12-7-5-4-6-11(12)15-19-20(16(23)21(13)15)10-14(22)17-8-9-24-2/h4-7H,3,8-10H2,1-2H3,(H,17,22)
InChIKeyBBWTWNDZNSITHX-UHFFFAOYSA-N
XLogP0.37
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-(5-ethyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-(2-methoxyethyl)acetamide (CID 46950540) is 2-(5-ethyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-(5-ethyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-(5-ethyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-(2-methoxyethyl)acetamide is CCc1nc2ccccc2c2nn(CC(=O)NCCOC)c(=O)n12.
What is the InChIKey of 2-(5-ethyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-(2-methoxyethyl)acetamide?
The InChIKey is BBWTWNDZNSITHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3/c1-3-13-18-12-7-5-4-6-11(12)15-19-20(16(23)21(13)15)10-14(22)17-8-9-24-2/h4-7H,3,8-10H2,1-2H3,(H,17,22).
What are the key properties of 2-(5-ethyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-(2-methoxyethyl)acetamide?
2-(5-ethyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-(2-methoxyethyl)acetamide has a molecular weight of 329.36 g/mol, XLogP of 0.37, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 46950540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).