2-[(4-ethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methoxy]-4-methylbenzamide

C20H19N5O3 — CID 38773091

IUPAC2-[(4-ethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methoxy]-4-methylbenzamide
SMILESCCn1c(=O)c2ccccc2n2c(COc3cc(C)ccc3C(N)=O)nnc12
InChIInChI=1S/C20H19N5O3/c1-3-24-19(27)13-6-4-5-7-15(13)25-17(22-23-20(24)25)11-28-16-10-12(2)8-9-14(16)18(21)26/h4-10H,3,11H2,1-2H3,(H2,21,26)
InChIKeyDIWQMCLGWGPESP-UHFFFAOYSA-N
MW377.40 g/mol
LogP2.05
Rot. Bonds5

About 2-[(4-ethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methoxy]-4-methylbenzamide

2-[(4-ethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methoxy]-4-methylbenzamide (PubChem CID 38773091) has the molecular formula C20H19N5O3 and a molecular weight of 377.40 g/mol. Its IUPAC name is 2-[(4-ethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methoxy]-4-methylbenzamide.

Molecular Properties

Compound Name2-[(4-ethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methoxy]-4-methylbenzamide
PubChem CID38773091
Molecular FormulaC20H19N5O3
Molecular Weight377.40 g/mol
Exact Mass377.15
IUPAC Name2-[(4-ethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methoxy]-4-methylbenzamide
SMILESCCn1c(=O)c2ccccc2n2c(COc3cc(C)ccc3C(N)=O)nnc12
InChIInChI=1S/C20H19N5O3/c1-3-24-19(27)13-6-4-5-7-15(13)25-17(22-23-20(24)25)11-28-16-10-12(2)8-9-14(16)18(21)26/h4-10H,3,11H2,1-2H3,(H2,21,26)
InChIKeyDIWQMCLGWGPESP-UHFFFAOYSA-N
XLogP2.05
TPSA104.51 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 ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methoxy]-4-methylbenzamide?
The IUPAC name of 2-[(4-ethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methoxy]-4-methylbenzamide (CID 38773091) is 2-[(4-ethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methoxy]-4-methylbenzamide.
What is the SMILES notation for 2-[(4-ethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methoxy]-4-methylbenzamide?
The canonical SMILES for 2-[(4-ethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methoxy]-4-methylbenzamide is CCn1c(=O)c2ccccc2n2c(COc3cc(C)ccc3C(N)=O)nnc12.
What is the InChIKey of 2-[(4-ethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methoxy]-4-methylbenzamide?
The InChIKey is DIWQMCLGWGPESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3/c1-3-24-19(27)13-6-4-5-7-15(13)25-17(22-23-20(24)25)11-28-16-10-12(2)8-9-14(16)18(21)26/h4-10H,3,11H2,1-2H3,(H2,21,26).
What are the key properties of 2-[(4-ethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methoxy]-4-methylbenzamide?
2-[(4-ethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methoxy]-4-methylbenzamide has a molecular weight of 377.40 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methoxy]-4-methylbenzamide is sourced from PubChem (CID 38773091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).