5-ethyl-2-(2-morpholin-4-yl-2-oxoethyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-one

C17H19N5O3 — CID 46952351

IUPAC5-ethyl-2-(2-morpholin-4-yl-2-oxoethyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-one
SMILESCCc1nc2ccccc2c2nn(CC(=O)N3CCOCC3)c(=O)n12
InChIInChI=1S/C17H19N5O3/c1-2-14-18-13-6-4-3-5-12(13)16-19-21(17(24)22(14)16)11-15(23)20-7-9-25-10-8-20/h3-6H,2,7-11H2,1H3
InChIKeyRXYPBEUYOPMNRP-UHFFFAOYSA-N
MW341.37 g/mol
LogP0.47
Rot. Bonds3

About 5-ethyl-2-(2-morpholin-4-yl-2-oxoethyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-one

5-ethyl-2-(2-morpholin-4-yl-2-oxoethyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-one (PubChem CID 46952351) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is 5-ethyl-2-(2-morpholin-4-yl-2-oxoethyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-one.

Molecular Properties

Compound Name5-ethyl-2-(2-morpholin-4-yl-2-oxoethyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-one
PubChem CID46952351
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC Name5-ethyl-2-(2-morpholin-4-yl-2-oxoethyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-one
SMILESCCc1nc2ccccc2c2nn(CC(=O)N3CCOCC3)c(=O)n12
InChIInChI=1S/C17H19N5O3/c1-2-14-18-13-6-4-3-5-12(13)16-19-21(17(24)22(14)16)11-15(23)20-7-9-25-10-8-20/h3-6H,2,7-11H2,1H3
InChIKeyRXYPBEUYOPMNRP-UHFFFAOYSA-N
XLogP0.47
TPSA81.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-ethyl-2-(2-morpholin-4-yl-2-oxoethyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-one with MolForge

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Launch Full Analysis

Related Compounds

5-tert-butyl-2-(2-oxo-2-piperidin-1-ylethyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-one
CID 16675961
2-(5-ethyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-(2-methoxyethyl)acetamide
CID 46950540
2-[3-(2-morpholin-4-yl-2-oxoethyl)-4-oxophthalazin-1-yl]acetic acid
CID 153189612
12-ethyl-10-(2-morpholin-4-yl-2-oxoethyl)-3-thia-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),4,7,11-tetraen-9-one
CID 16669926
2-ethyl-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 45030837
2-(morpholin-4-ylmethyl)-3-(2-oxopropyl)quinazolin-4-one
CID 2487613
1-morpholin-4-yl-2-(2-propylbenzimidazol-1-yl)ethanone
CID 115569311
3-(2-morpholin-4-yl-2-oxoethyl)-4-oxophthalazine-1-carboxylate
CID 2376076
2-(3,5-diphenyl-1,2,4-triazol-1-yl)-1-morpholin-4-ylethanone
CID 654746
5-tert-butyl-2-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-[1,2,4]triazolo[4,3-c]quinazolin-3-one
CID 92583928
2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-1-morpholin-4-ylethanone
CID 3949436
6-(2-methylphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)pyridazin-3-one
CID 7671973

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(2-morpholin-4-yl-2-oxoethyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-one?
The IUPAC name of 5-ethyl-2-(2-morpholin-4-yl-2-oxoethyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-one (CID 46952351) is 5-ethyl-2-(2-morpholin-4-yl-2-oxoethyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-one.
What is the SMILES notation for 5-ethyl-2-(2-morpholin-4-yl-2-oxoethyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-one?
The canonical SMILES for 5-ethyl-2-(2-morpholin-4-yl-2-oxoethyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-one is CCc1nc2ccccc2c2nn(CC(=O)N3CCOCC3)c(=O)n12.
What is the InChIKey of 5-ethyl-2-(2-morpholin-4-yl-2-oxoethyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-one?
The InChIKey is RXYPBEUYOPMNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3/c1-2-14-18-13-6-4-3-5-12(13)16-19-21(17(24)22(14)16)11-15(23)20-7-9-25-10-8-20/h3-6H,2,7-11H2,1H3.
What are the key properties of 5-ethyl-2-(2-morpholin-4-yl-2-oxoethyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-one?
5-ethyl-2-(2-morpholin-4-yl-2-oxoethyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-one has a molecular weight of 341.37 g/mol, XLogP of 0.47, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(2-morpholin-4-yl-2-oxoethyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-one is sourced from PubChem (CID 46952351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).