4-ethyl-3-[1-(2-quinazolin-4-yloxyacetyl)piperidin-4-yl]-1H-1,2,4-triazol-5-one

C19H22N6O3 — CID 50969210

IUPAC4-ethyl-3-[1-(2-quinazolin-4-yloxyacetyl)piperidin-4-yl]-1H-1,2,4-triazol-5-one
SMILESCCn1c(C2CCN(C(=O)COc3ncnc4ccccc34)CC2)n[nH]c1=O
InChIInChI=1S/C19H22N6O3/c1-2-25-17(22-23-19(25)27)13-7-9-24(10-8-13)16(26)11-28-18-14-5-3-4-6-15(14)20-12-21-18/h3-6,12-13H,2,7-11H2,1H3,(H,23,27)
InChIKeyDMMLDRPHLIJLAS-UHFFFAOYSA-N
MW382.42 g/mol
LogP1.32
Rot. Bonds5

About 4-ethyl-3-[1-(2-quinazolin-4-yloxyacetyl)piperidin-4-yl]-1H-1,2,4-triazol-5-one

4-ethyl-3-[1-(2-quinazolin-4-yloxyacetyl)piperidin-4-yl]-1H-1,2,4-triazol-5-one (PubChem CID 50969210) has the molecular formula C19H22N6O3 and a molecular weight of 382.42 g/mol. Its IUPAC name is 4-ethyl-3-[1-(2-quinazolin-4-yloxyacetyl)piperidin-4-yl]-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name4-ethyl-3-[1-(2-quinazolin-4-yloxyacetyl)piperidin-4-yl]-1H-1,2,4-triazol-5-one
PubChem CID50969210
Molecular FormulaC19H22N6O3
Molecular Weight382.42 g/mol
Exact Mass382.18
IUPAC Name4-ethyl-3-[1-(2-quinazolin-4-yloxyacetyl)piperidin-4-yl]-1H-1,2,4-triazol-5-one
SMILESCCn1c(C2CCN(C(=O)COc3ncnc4ccccc34)CC2)n[nH]c1=O
InChIInChI=1S/C19H22N6O3/c1-2-25-17(22-23-19(25)27)13-7-9-24(10-8-13)16(26)11-28-18-14-5-3-4-6-15(14)20-12-21-18/h3-6,12-13H,2,7-11H2,1H3,(H,23,27)
InChIKeyDMMLDRPHLIJLAS-UHFFFAOYSA-N
XLogP1.32
TPSA106.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-ethyl-3-[1-(2-quinazolin-4-yloxyacetyl)piperidin-4-yl]-1H-1,2,4-triazol-5-one with MolForge

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Related Compounds

1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-quinazolin-4-yloxyethanone
CID 90649083
1-[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-quinazolin-4-yloxyethanone
CID 86285494
1-(3,5-dimethylpiperidin-1-yl)-2-quinazolin-4-yloxyethanone
CID 4164452
1-[3-(4-methoxy-2-pyridinyl)pyrrolidin-1-yl]-2-quinazolin-4-yloxyethanone
CID 166318304
3-[1-[2-(2-chloro-4-fluorophenoxy)acetyl]piperidin-4-yl]-4-ethyl-1H-1,2,4-triazol-5-one
CID 136518795
1-[(3R,4R)-3-[(dimethylamino)methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-2-quinazolin-4-yloxyethanone
CID 70722433
4-ethyl-3-[1-[3-(4-methoxyphenyl)propanoyl]piperidin-4-yl]-1H-1,2,4-triazol-5-one
CID 136515190
3-[1-(1-aminocyclopropanecarbonyl)piperidin-4-yl]-4-ethyl-1H-1,2,4-triazol-5-one;hydrochloride
CID 154892223
(4S)-4-[4-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 95128317
3-[4-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-6-methyl-5-phenyl-1H-pyridin-2-one
CID 167769575
5-[4-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]pyrazine-2-carboxylic acid
CID 138001743
4-ethyl-3-[1-[2-(4-methylsulfonylphenyl)acetyl]piperidin-4-yl]-1H-1,2,4-triazol-5-one
CID 56722850

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-[1-(2-quinazolin-4-yloxyacetyl)piperidin-4-yl]-1H-1,2,4-triazol-5-one?
The IUPAC name of 4-ethyl-3-[1-(2-quinazolin-4-yloxyacetyl)piperidin-4-yl]-1H-1,2,4-triazol-5-one (CID 50969210) is 4-ethyl-3-[1-(2-quinazolin-4-yloxyacetyl)piperidin-4-yl]-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 4-ethyl-3-[1-(2-quinazolin-4-yloxyacetyl)piperidin-4-yl]-1H-1,2,4-triazol-5-one?
The canonical SMILES for 4-ethyl-3-[1-(2-quinazolin-4-yloxyacetyl)piperidin-4-yl]-1H-1,2,4-triazol-5-one is CCn1c(C2CCN(C(=O)COc3ncnc4ccccc34)CC2)n[nH]c1=O.
What is the InChIKey of 4-ethyl-3-[1-(2-quinazolin-4-yloxyacetyl)piperidin-4-yl]-1H-1,2,4-triazol-5-one?
The InChIKey is DMMLDRPHLIJLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O3/c1-2-25-17(22-23-19(25)27)13-7-9-24(10-8-13)16(26)11-28-18-14-5-3-4-6-15(14)20-12-21-18/h3-6,12-13H,2,7-11H2,1H3,(H,23,27).
What are the key properties of 4-ethyl-3-[1-(2-quinazolin-4-yloxyacetyl)piperidin-4-yl]-1H-1,2,4-triazol-5-one?
4-ethyl-3-[1-(2-quinazolin-4-yloxyacetyl)piperidin-4-yl]-1H-1,2,4-triazol-5-one has a molecular weight of 382.42 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-[1-(2-quinazolin-4-yloxyacetyl)piperidin-4-yl]-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 50969210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).