2-[(4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-1-morpholin-4-ylethanone

C17H18N4O2S — CID 752204

IUPAC2-[(4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-1-morpholin-4-ylethanone
SMILESCc1cc2ccccc2n2c(SCC(=O)N3CCOCC3)nnc12
InChIInChI=1S/C17H18N4O2S/c1-12-10-13-4-2-3-5-14(13)21-16(12)18-19-17(21)24-11-15(22)20-6-8-23-9-7-20/h2-5,10H,6-9,11H2,1H3
InChIKeyORFFMRZSPGALET-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.14
Rot. Bonds3

About 2-[(4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-1-morpholin-4-ylethanone

2-[(4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-1-morpholin-4-ylethanone (PubChem CID 752204) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is 2-[(4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[(4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-1-morpholin-4-ylethanone
PubChem CID752204
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name2-[(4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-1-morpholin-4-ylethanone
SMILESCc1cc2ccccc2n2c(SCC(=O)N3CCOCC3)nnc12
InChIInChI=1S/C17H18N4O2S/c1-12-10-13-4-2-3-5-14(13)21-16(12)18-19-17(21)24-11-15(22)20-6-8-23-9-7-20/h2-5,10H,6-9,11H2,1H3
InChIKeyORFFMRZSPGALET-UHFFFAOYSA-N
XLogP2.14
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[(4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-1-morpholin-4-ylethanone with MolForge

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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
N,N-Diethyl-2-(9-methyl-9H-1,3,4,9-tetraaza-fluoren-2-ylsulfanyl)-acetamide
CID 3147984
1-[(5-Tert-butyl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]propan-2-one
CID 3227439
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
1-Morpholin-4-yl-2-(5-pyridin-3-yl-4-p-tolyl-4H-[1,2,4]triazol-3-ylsulfanyl)-ethanone
CID 646352
2-(4-Morpholinyl)-2-oxoethyl [1,2,4]triazolo[4,3-a]quinolin-1-yl sulfide
CID 852226
1-Isopropylsulfanyl-5-methyl-[1,2,4]triazolo[4,3-a]quinoline
CID 864572
(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 2-[(4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[(4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-1-morpholin-4-ylethanone (CID 752204) is 2-[(4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[(4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[(4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-1-morpholin-4-ylethanone is Cc1cc2ccccc2n2c(SCC(=O)N3CCOCC3)nnc12.
What is the InChIKey of 2-[(4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-1-morpholin-4-ylethanone?
The InChIKey is ORFFMRZSPGALET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-12-10-13-4-2-3-5-14(13)21-16(12)18-19-17(21)24-11-15(22)20-6-8-23-9-7-20/h2-5,10H,6-9,11H2,1H3.
What are the key properties of 2-[(4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-1-morpholin-4-ylethanone?
2-[(4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-1-morpholin-4-ylethanone has a molecular weight of 342.42 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 752204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).