(2-oxo-2-thiophen-2-ylethyl) 2-quinolin-8-yloxyacetate

C17H13NO4S — CID 2395878

IUPAC(2-oxo-2-thiophen-2-ylethyl) 2-quinolin-8-yloxyacetate
SMILESO=C(COc1cccc2cccnc12)OCC(=O)c1cccs1
InChIInChI=1S/C17H13NO4S/c19-13(15-7-3-9-23-15)10-22-16(20)11-21-14-6-1-4-12-5-2-8-18-17(12)14/h1-9H,10-11H2
InChIKeyXVAOPTSVDXRAEC-UHFFFAOYSA-N
MW327.36 g/mol
LogP3.10
Rot. Bonds6

About (2-oxo-2-thiophen-2-ylethyl) 2-quinolin-8-yloxyacetate

(2-oxo-2-thiophen-2-ylethyl) 2-quinolin-8-yloxyacetate (PubChem CID 2395878) has the molecular formula C17H13NO4S and a molecular weight of 327.36 g/mol. Its IUPAC name is (2-oxo-2-thiophen-2-ylethyl) 2-quinolin-8-yloxyacetate.

Molecular Properties

Compound Name(2-oxo-2-thiophen-2-ylethyl) 2-quinolin-8-yloxyacetate
PubChem CID2395878
Molecular FormulaC17H13NO4S
Molecular Weight327.36 g/mol
Exact Mass327.06
IUPAC Name(2-oxo-2-thiophen-2-ylethyl) 2-quinolin-8-yloxyacetate
SMILESO=C(COc1cccc2cccnc12)OCC(=O)c1cccs1
InChIInChI=1S/C17H13NO4S/c19-13(15-7-3-9-23-15)10-22-16(20)11-21-14-6-1-4-12-5-2-8-18-17(12)14/h1-9H,10-11H2
InChIKeyXVAOPTSVDXRAEC-UHFFFAOYSA-N
XLogP3.10
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxyethyl 2-quinolin-8-yloxyacetate
CID 71408859
2-chloroethyl 2-quinolin-8-yloxyacetate
CID 71408832
hydron;quinolin-8-yl thiophene-2-carboxylate;chloride
CID 652773
2-ethoxyethyl 2-quinolin-8-yloxyacetate
CID 71408852
2-quinolin-8-yloxyacetate
CID 6950984
1-(3-fluorophenyl)-2-quinolin-8-yloxyethanone
CID 43226497
2-fluoro-6-(2-oxo-2-thiophen-2-ylethoxy)benzamide
CID 62034000
[(1-amino-2-quinolin-8-yloxyethylidene)amino] 2-methoxyacetate
CID 71320086
N-tert-butyl-2-quinolin-8-yloxyacetamide
CID 7893996
N',N'-dimethyl-2-quinolin-8-yloxyacetohydrazide
CID 116820845
2-[2-(2-quinolin-8-yloxyacetyl)hydrazinyl]acetic acid
CID 4029060
N-(1-aminopropan-2-yl)-2-quinolin-8-yloxyacetamide
CID 110834168

Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-thiophen-2-ylethyl) 2-quinolin-8-yloxyacetate?
The IUPAC name of (2-oxo-2-thiophen-2-ylethyl) 2-quinolin-8-yloxyacetate (CID 2395878) is (2-oxo-2-thiophen-2-ylethyl) 2-quinolin-8-yloxyacetate.
What is the SMILES notation for (2-oxo-2-thiophen-2-ylethyl) 2-quinolin-8-yloxyacetate?
The canonical SMILES for (2-oxo-2-thiophen-2-ylethyl) 2-quinolin-8-yloxyacetate is O=C(COc1cccc2cccnc12)OCC(=O)c1cccs1.
What is the InChIKey of (2-oxo-2-thiophen-2-ylethyl) 2-quinolin-8-yloxyacetate?
The InChIKey is XVAOPTSVDXRAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO4S/c19-13(15-7-3-9-23-15)10-22-16(20)11-21-14-6-1-4-12-5-2-8-18-17(12)14/h1-9H,10-11H2.
What are the key properties of (2-oxo-2-thiophen-2-ylethyl) 2-quinolin-8-yloxyacetate?
(2-oxo-2-thiophen-2-ylethyl) 2-quinolin-8-yloxyacetate has a molecular weight of 327.36 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-thiophen-2-ylethyl) 2-quinolin-8-yloxyacetate is sourced from PubChem (CID 2395878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).