2-quinolin-8-yloxy-N-[(E)-1-thiophen-2-ylethylideneamino]acetamide

C17H15N3O2S — CID 50905837

IUPAC2-quinolin-8-yloxy-N-[(E)-1-thiophen-2-ylethylideneamino]acetamide
SMILESC/C(=N\NC(=O)COc1cccc2cccnc12)c1cccs1
InChIInChI=1S/C17H15N3O2S/c1-12(15-8-4-10-23-15)19-20-16(21)11-22-14-7-2-5-13-6-3-9-18-17(13)14/h2-10H,11H2,1H3,(H,20,21)/b19-12+
InChIKeyJJICMOXAFPZUSC-XDHOZWIPSA-N
MW325.39 g/mol
LogP3.22
Rot. Bonds5

About 2-quinolin-8-yloxy-N-[(E)-1-thiophen-2-ylethylideneamino]acetamide

2-quinolin-8-yloxy-N-[(E)-1-thiophen-2-ylethylideneamino]acetamide (PubChem CID 50905837) has the molecular formula C17H15N3O2S and a molecular weight of 325.39 g/mol. Its IUPAC name is 2-quinolin-8-yloxy-N-[(E)-1-thiophen-2-ylethylideneamino]acetamide.

Molecular Properties

Compound Name2-quinolin-8-yloxy-N-[(E)-1-thiophen-2-ylethylideneamino]acetamide
PubChem CID50905837
Molecular FormulaC17H15N3O2S
Molecular Weight325.39 g/mol
Exact Mass325.09
IUPAC Name2-quinolin-8-yloxy-N-[(E)-1-thiophen-2-ylethylideneamino]acetamide
SMILESC/C(=N\NC(=O)COc1cccc2cccnc12)c1cccs1
InChIInChI=1S/C17H15N3O2S/c1-12(15-8-4-10-23-15)19-20-16(21)11-22-14-7-2-5-13-6-3-9-18-17(13)14/h2-10H,11H2,1H3,(H,20,21)/b19-12+
InChIKeyJJICMOXAFPZUSC-XDHOZWIPSA-N
XLogP3.22
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.22
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-quinolin-8-yloxy-N-[(E)-1-thiophen-2-ylethylideneamino]acetamide?
The IUPAC name of 2-quinolin-8-yloxy-N-[(E)-1-thiophen-2-ylethylideneamino]acetamide (CID 50905837) is 2-quinolin-8-yloxy-N-[(E)-1-thiophen-2-ylethylideneamino]acetamide.
What is the SMILES notation for 2-quinolin-8-yloxy-N-[(E)-1-thiophen-2-ylethylideneamino]acetamide?
The canonical SMILES for 2-quinolin-8-yloxy-N-[(E)-1-thiophen-2-ylethylideneamino]acetamide is C/C(=N\NC(=O)COc1cccc2cccnc12)c1cccs1.
What is the InChIKey of 2-quinolin-8-yloxy-N-[(E)-1-thiophen-2-ylethylideneamino]acetamide?
The InChIKey is JJICMOXAFPZUSC-XDHOZWIPSA-N. The full InChI is InChI=1S/C17H15N3O2S/c1-12(15-8-4-10-23-15)19-20-16(21)11-22-14-7-2-5-13-6-3-9-18-17(13)14/h2-10H,11H2,1H3,(H,20,21)/b19-12+.
What are the key properties of 2-quinolin-8-yloxy-N-[(E)-1-thiophen-2-ylethylideneamino]acetamide?
2-quinolin-8-yloxy-N-[(E)-1-thiophen-2-ylethylideneamino]acetamide has a molecular weight of 325.39 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-quinolin-8-yloxy-N-[(E)-1-thiophen-2-ylethylideneamino]acetamide is sourced from PubChem (CID 50905837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).