N-(furan-2-ylmethyl)-2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide

C18H16N4O2S — CID 982947

IUPACN-(furan-2-ylmethyl)-2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide
SMILESCc1cc2nnc(SCC(=O)NCc3ccco3)n2c2ccccc12
InChIInChI=1S/C18H16N4O2S/c1-12-9-16-20-21-18(22(16)15-7-3-2-6-14(12)15)25-11-17(23)19-10-13-5-4-8-24-13/h2-9H,10-11H2,1H3,(H,19,23)
InChIKeyVTGXBZXLXVJLFL-UHFFFAOYSA-N
MW352.42 g/mol
LogP3.19
Rot. Bonds5

About N-(furan-2-ylmethyl)-2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide

N-(furan-2-ylmethyl)-2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide (PubChem CID 982947) has the molecular formula C18H16N4O2S and a molecular weight of 352.42 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide
PubChem CID982947
Molecular FormulaC18H16N4O2S
Molecular Weight352.42 g/mol
Exact Mass352.10
IUPAC NameN-(furan-2-ylmethyl)-2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide
SMILESCc1cc2nnc(SCC(=O)NCc3ccco3)n2c2ccccc12
InChIInChI=1S/C18H16N4O2S/c1-12-9-16-20-21-18(22(16)15-7-3-2-6-14(12)15)25-11-17(23)19-10-13-5-4-8-24-13/h2-9H,10-11H2,1H3,(H,19,23)
InChIKeyVTGXBZXLXVJLFL-UHFFFAOYSA-N
XLogP3.19
TPSA72.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(furan-2-ylmethyl)-2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide with MolForge

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Related Compounds

N-(9-Ethyl-9H-carbazol-3-YL)-2-{[4-ethyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL]sulfanyl}acetamide
CID 1890961
N-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]furan-2-carboxamide
CID 938552
2-([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)-N-(furan-2-ylmethyl)acetamide
CID 686615
2-(5-Furan-2-yl-4-m-tolyl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-methyl-acetamide
CID 855346
2-[4-(2,3-Dimethyl-phenyl)-5-furan-2-yl-4H-[1,2,4]triazol-3-ylsulfanyl]-N-methyl-acetamide
CID 855347
2-[4-(2,5-Dimethyl-phenyl)-5-furan-2-yl-4H-[1,2,4]triazol-3-ylsulfanyl]-N-methyl-acetamide
CID 855348
N-(6-methyl-1-propylpyrazolo[3,4-b]quinolin-3-yl)furan-2-carboxamide
CID 934278
N-[6-methyl-1-(2-methylpropyl)-3-pyrazolo[3,4-b]quinolinyl]-2-furancarboxamide
CID 939495
N-[(7-ethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(furan-2-ylmethyl)acetamide
CID 1459562
Furan-2-carboxylic acid furan-2-ylmethyl-(8-methyl-1,2,3,9b-tetraaza-cyclopenta[a]naphthalen-4-ylmethyl)-amide
CID 3397535
N-(1-ethyl-7-methyl-3-pyrazolo[3,4-b]quinolinyl)-2-furancarboxamide
CID 664852
N-(1-propyl-1H-pyrazolo[3,4-b]quinolin-3-yl)-2-furamide
CID 944687

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide (CID 982947) is N-(furan-2-ylmethyl)-2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide is Cc1cc2nnc(SCC(=O)NCc3ccco3)n2c2ccccc12.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide?
The InChIKey is VTGXBZXLXVJLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2S/c1-12-9-16-20-21-18(22(16)15-7-3-2-6-14(12)15)25-11-17(23)19-10-13-5-4-8-24-13/h2-9H,10-11H2,1H3,(H,19,23).
What are the key properties of N-(furan-2-ylmethyl)-2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide?
N-(furan-2-ylmethyl)-2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide has a molecular weight of 352.42 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide is sourced from PubChem (CID 982947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).