2-(2,6-dimethylquinolin-4-yl)sulfanyl-N-[(E)-furan-2-ylmethylideneamino]acetamide

C18H17N3O2S — CID 56642861

IUPAC2-(2,6-dimethylquinolin-4-yl)sulfanyl-N-[(E)-furan-2-ylmethylideneamino]acetamide
SMILESCc1ccc2nc(C)cc(SCC(=O)N/N=C/c3ccco3)c2c1
InChIInChI=1S/C18H17N3O2S/c1-12-5-6-16-15(8-12)17(9-13(2)20-16)24-11-18(22)21-19-10-14-4-3-7-23-14/h3-10H,11H2,1-2H3,(H,21,22)/b19-10+
InChIKeyHGUXNVMJWVMTQC-VXLYETTFSA-N
MW339.42 g/mol
LogP3.69
Rot. Bonds5

About 2-(2,6-dimethylquinolin-4-yl)sulfanyl-N-[(E)-furan-2-ylmethylideneamino]acetamide

2-(2,6-dimethylquinolin-4-yl)sulfanyl-N-[(E)-furan-2-ylmethylideneamino]acetamide (PubChem CID 56642861) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is 2-(2,6-dimethylquinolin-4-yl)sulfanyl-N-[(E)-furan-2-ylmethylideneamino]acetamide.

Molecular Properties

Compound Name2-(2,6-dimethylquinolin-4-yl)sulfanyl-N-[(E)-furan-2-ylmethylideneamino]acetamide
PubChem CID56642861
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name2-(2,6-dimethylquinolin-4-yl)sulfanyl-N-[(E)-furan-2-ylmethylideneamino]acetamide
SMILESCc1ccc2nc(C)cc(SCC(=O)N/N=C/c3ccco3)c2c1
InChIInChI=1S/C18H17N3O2S/c1-12-5-6-16-15(8-12)17(9-13(2)20-16)24-11-18(22)21-19-10-14-4-3-7-23-14/h3-10H,11H2,1-2H3,(H,21,22)/b19-10+
InChIKeyHGUXNVMJWVMTQC-VXLYETTFSA-N
XLogP3.69
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylquinolin-4-yl)sulfanyl-N-[(E)-furan-2-ylmethylideneamino]acetamide?
The IUPAC name of 2-(2,6-dimethylquinolin-4-yl)sulfanyl-N-[(E)-furan-2-ylmethylideneamino]acetamide (CID 56642861) is 2-(2,6-dimethylquinolin-4-yl)sulfanyl-N-[(E)-furan-2-ylmethylideneamino]acetamide.
What is the SMILES notation for 2-(2,6-dimethylquinolin-4-yl)sulfanyl-N-[(E)-furan-2-ylmethylideneamino]acetamide?
The canonical SMILES for 2-(2,6-dimethylquinolin-4-yl)sulfanyl-N-[(E)-furan-2-ylmethylideneamino]acetamide is Cc1ccc2nc(C)cc(SCC(=O)N/N=C/c3ccco3)c2c1.
What is the InChIKey of 2-(2,6-dimethylquinolin-4-yl)sulfanyl-N-[(E)-furan-2-ylmethylideneamino]acetamide?
The InChIKey is HGUXNVMJWVMTQC-VXLYETTFSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-12-5-6-16-15(8-12)17(9-13(2)20-16)24-11-18(22)21-19-10-14-4-3-7-23-14/h3-10H,11H2,1-2H3,(H,21,22)/b19-10+.
What are the key properties of 2-(2,6-dimethylquinolin-4-yl)sulfanyl-N-[(E)-furan-2-ylmethylideneamino]acetamide?
2-(2,6-dimethylquinolin-4-yl)sulfanyl-N-[(E)-furan-2-ylmethylideneamino]acetamide has a molecular weight of 339.42 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylquinolin-4-yl)sulfanyl-N-[(E)-furan-2-ylmethylideneamino]acetamide is sourced from PubChem (CID 56642861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).