2-(3-ethyl-5-oxo-[1,2,4]triazolo[4,3-c]quinazolin-6-yl)-N-(4-methoxyphenyl)acetamide

C20H19N5O3 — CID 164616678

IUPAC2-(3-ethyl-5-oxo-[1,2,4]triazolo[4,3-c]quinazolin-6-yl)-N-(4-methoxyphenyl)acetamide
SMILESCCc1nnc2c3ccccc3n(CC(=O)Nc3ccc(OC)cc3)c(=O)n12
InChIInChI=1S/C20H19N5O3/c1-3-17-22-23-19-15-6-4-5-7-16(15)24(20(27)25(17)19)12-18(26)21-13-8-10-14(28-2)11-9-13/h4-11H,3,12H2,1-2H3,(H,21,26)
InChIKeyYJCHRTRBKBTKLA-UHFFFAOYSA-N
MW377.40 g/mol
LogP2.25
Rot. Bonds5

About 2-(3-ethyl-5-oxo-[1,2,4]triazolo[4,3-c]quinazolin-6-yl)-N-(4-methoxyphenyl)acetamide

2-(3-ethyl-5-oxo-[1,2,4]triazolo[4,3-c]quinazolin-6-yl)-N-(4-methoxyphenyl)acetamide (PubChem CID 164616678) has the molecular formula C20H19N5O3 and a molecular weight of 377.40 g/mol. Its IUPAC name is 2-(3-ethyl-5-oxo-[1,2,4]triazolo[4,3-c]quinazolin-6-yl)-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(3-ethyl-5-oxo-[1,2,4]triazolo[4,3-c]quinazolin-6-yl)-N-(4-methoxyphenyl)acetamide
PubChem CID164616678
Molecular FormulaC20H19N5O3
Molecular Weight377.40 g/mol
Exact Mass377.15
IUPAC Name2-(3-ethyl-5-oxo-[1,2,4]triazolo[4,3-c]quinazolin-6-yl)-N-(4-methoxyphenyl)acetamide
SMILESCCc1nnc2c3ccccc3n(CC(=O)Nc3ccc(OC)cc3)c(=O)n12
InChIInChI=1S/C20H19N5O3/c1-3-17-22-23-19-15-6-4-5-7-16(15)24(20(27)25(17)19)12-18(26)21-13-8-10-14(28-2)11-9-13/h4-11H,3,12H2,1-2H3,(H,21,26)
InChIKeyYJCHRTRBKBTKLA-UHFFFAOYSA-N
XLogP2.25
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-5-oxo-[1,2,4]triazolo[4,3-c]quinazolin-6-yl)-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-(3-ethyl-5-oxo-[1,2,4]triazolo[4,3-c]quinazolin-6-yl)-N-(4-methoxyphenyl)acetamide (CID 164616678) is 2-(3-ethyl-5-oxo-[1,2,4]triazolo[4,3-c]quinazolin-6-yl)-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(3-ethyl-5-oxo-[1,2,4]triazolo[4,3-c]quinazolin-6-yl)-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-(3-ethyl-5-oxo-[1,2,4]triazolo[4,3-c]quinazolin-6-yl)-N-(4-methoxyphenyl)acetamide is CCc1nnc2c3ccccc3n(CC(=O)Nc3ccc(OC)cc3)c(=O)n12.
What is the InChIKey of 2-(3-ethyl-5-oxo-[1,2,4]triazolo[4,3-c]quinazolin-6-yl)-N-(4-methoxyphenyl)acetamide?
The InChIKey is YJCHRTRBKBTKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3/c1-3-17-22-23-19-15-6-4-5-7-16(15)24(20(27)25(17)19)12-18(26)21-13-8-10-14(28-2)11-9-13/h4-11H,3,12H2,1-2H3,(H,21,26).
What are the key properties of 2-(3-ethyl-5-oxo-[1,2,4]triazolo[4,3-c]quinazolin-6-yl)-N-(4-methoxyphenyl)acetamide?
2-(3-ethyl-5-oxo-[1,2,4]triazolo[4,3-c]quinazolin-6-yl)-N-(4-methoxyphenyl)acetamide has a molecular weight of 377.40 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-5-oxo-[1,2,4]triazolo[4,3-c]quinazolin-6-yl)-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 164616678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).