1-morpholin-4-yl-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)ethanone

C16H16N4O2S — CID 852226

IUPAC1-morpholin-4-yl-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)ethanone
SMILESO=C(CSc1nnc2ccc3ccccc3n12)N1CCOCC1
InChIInChI=1S/C16H16N4O2S/c21-15(19-7-9-22-10-8-19)11-23-16-18-17-14-6-5-12-3-1-2-4-13(12)20(14)16/h1-6H,7-11H2
InChIKeyYSIWTAPSDPWDBZ-UHFFFAOYSA-N
MW328.40 g/mol
LogP1.83
Rot. Bonds3

About 1-morpholin-4-yl-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)ethanone

1-morpholin-4-yl-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)ethanone (PubChem CID 852226) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)ethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)ethanone
PubChem CID852226
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC Name1-morpholin-4-yl-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)ethanone
SMILESO=C(CSc1nnc2ccc3ccccc3n12)N1CCOCC1
InChIInChI=1S/C16H16N4O2S/c21-15(19-7-9-22-10-8-19)11-23-16-18-17-14-6-5-12-3-1-2-4-13(12)20(14)16/h1-6H,7-11H2
InChIKeyYSIWTAPSDPWDBZ-UHFFFAOYSA-N
XLogP1.83
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-[(8-Fluoro-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethyl]morpholine
CID 2990846
1-[(5-Methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio]acetone
CID 829542
1-(2,3-Dihydroindol-1-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone
CID 2458297
N,N-Diethyl-2-(9-methyl-9H-1,3,4,9-tetraaza-fluoren-2-ylsulfanyl)-acetamide
CID 3147984
1-(3,4-Dihydro-2H-quinolin-1-yl)-2-[5-(4,6-dimethyl-pyrimidin-2-ylsulfanylmethyl)-4-ethyl-4H-[1,2,4]triazol-3-ylsulfanyl]-ethanone
CID 654672
2-[[5-(Morpholine-4-carbonyl)-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanylmethyl]benzonitrile
CID 71539803
1-Morpholin-4-yl-2-(5-pyridin-3-yl-4-p-tolyl-4H-[1,2,4]triazol-3-ylsulfanyl)-ethanone
CID 646352
4-Methyl-1-{[2-(4-morpholinyl)-2-oxoethyl]thio}[1,2,4]triazolo[4,3-a]quinoline
CID 752204
(5-Methyl-[1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)-acetic acid methyl ester
CID 864706
(5-Methyl-[1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)-acetic acid isopropyl ester
CID 864707
4-({[4-(4-methylphenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]thio}acetyl)morpholine
CID 1071783
1-(3,4-Dihydro-2H-quinolin-1-yl)-2-(4,7,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)-ethanone
CID 1173230

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)ethanone?
The IUPAC name of 1-morpholin-4-yl-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)ethanone (CID 852226) is 1-morpholin-4-yl-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)ethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)ethanone?
The canonical SMILES for 1-morpholin-4-yl-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)ethanone is O=C(CSc1nnc2ccc3ccccc3n12)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)ethanone?
The InChIKey is YSIWTAPSDPWDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c21-15(19-7-9-22-10-8-19)11-23-16-18-17-14-6-5-12-3-1-2-4-13(12)20(14)16/h1-6H,7-11H2.
What are the key properties of 1-morpholin-4-yl-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)ethanone?
1-morpholin-4-yl-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)ethanone has a molecular weight of 328.40 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)ethanone is sourced from PubChem (CID 852226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).