2-[(4,8-dimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide

C19H18N4O2S — CID 646293

IUPAC2-[(4,8-dimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide
SMILESCc1ccc2cc(C)c3nnc(SCC(=O)NCc4ccco4)n3c2c1
InChIInChI=1S/C19H18N4O2S/c1-12-5-6-14-9-13(2)18-21-22-19(23(18)16(14)8-12)26-11-17(24)20-10-15-4-3-7-25-15/h3-9H,10-11H2,1-2H3,(H,20,24)
InChIKeyMHELRWQUGIJWJF-UHFFFAOYSA-N
MW366.45 g/mol
LogP3.50
Rot. Bonds5

About 2-[(4,8-dimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide

2-[(4,8-dimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 646293) has the molecular formula C19H18N4O2S and a molecular weight of 366.45 g/mol. Its IUPAC name is 2-[(4,8-dimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(4,8-dimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide
PubChem CID646293
Molecular FormulaC19H18N4O2S
Molecular Weight366.45 g/mol
Exact Mass366.12
IUPAC Name2-[(4,8-dimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide
SMILESCc1ccc2cc(C)c3nnc(SCC(=O)NCc4ccco4)n3c2c1
InChIInChI=1S/C19H18N4O2S/c1-12-5-6-14-9-13(2)18-21-22-19(23(18)16(14)8-12)26-11-17(24)20-10-15-4-3-7-25-15/h3-9H,10-11H2,1-2H3,(H,20,24)
InChIKeyMHELRWQUGIJWJF-UHFFFAOYSA-N
XLogP3.50
TPSA72.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(4,8-dimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(furan-2-ylmethyl)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-(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-[(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
2-{[4-allyl-5-(2-quinolinyl)-4H-1,2,4-triazol-3-yl]thio}-N-(2-furylmethyl)acetamide
CID 1094854
N-[3-(6-methyl[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl]-2-furamide
CID 1988918

Frequently Asked Questions

What is the IUPAC name of 2-[(4,8-dimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[(4,8-dimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide (CID 646293) is 2-[(4,8-dimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(4,8-dimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(4,8-dimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide is Cc1ccc2cc(C)c3nnc(SCC(=O)NCc4ccco4)n3c2c1.
What is the InChIKey of 2-[(4,8-dimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is MHELRWQUGIJWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2S/c1-12-5-6-14-9-13(2)18-21-22-19(23(18)16(14)8-12)26-11-17(24)20-10-15-4-3-7-25-15/h3-9H,10-11H2,1-2H3,(H,20,24).
What are the key properties of 2-[(4,8-dimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide?
2-[(4,8-dimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 366.45 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,8-dimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 646293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).