(2-oxooxolan-3-yl) 2-thiophen-2-ylquinoline-4-carboxylate

C18H13NO4S — CID 3640616

IUPAC(2-oxooxolan-3-yl) 2-thiophen-2-ylquinoline-4-carboxylate
SMILESO=C(OC1CCOC1=O)c1cc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C18H13NO4S/c20-17(23-15-7-8-22-18(15)21)12-10-14(16-6-3-9-24-16)19-13-5-2-1-4-11(12)13/h1-6,9-10,15H,7-8H2
InChIKeyQHHRGGYLVVFJCP-UHFFFAOYSA-N
MW339.37 g/mol
LogP3.44
Rot. Bonds3

About (2-oxooxolan-3-yl) 2-thiophen-2-ylquinoline-4-carboxylate

(2-oxooxolan-3-yl) 2-thiophen-2-ylquinoline-4-carboxylate (PubChem CID 3640616) has the molecular formula C18H13NO4S and a molecular weight of 339.37 g/mol. Its IUPAC name is (2-oxooxolan-3-yl) 2-thiophen-2-ylquinoline-4-carboxylate.

Molecular Properties

Compound Name(2-oxooxolan-3-yl) 2-thiophen-2-ylquinoline-4-carboxylate
PubChem CID3640616
Molecular FormulaC18H13NO4S
Molecular Weight339.37 g/mol
Exact Mass339.06
IUPAC Name(2-oxooxolan-3-yl) 2-thiophen-2-ylquinoline-4-carboxylate
SMILESO=C(OC1CCOC1=O)c1cc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C18H13NO4S/c20-17(23-15-7-8-22-18(15)21)12-10-14(16-6-3-9-24-16)19-13-5-2-1-4-11(12)13/h1-6,9-10,15H,7-8H2
InChIKeyQHHRGGYLVVFJCP-UHFFFAOYSA-N
XLogP3.44
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-oxooxolan-3-yl) 2-thiophen-2-ylquinoline-4-carboxylate?
The IUPAC name of (2-oxooxolan-3-yl) 2-thiophen-2-ylquinoline-4-carboxylate (CID 3640616) is (2-oxooxolan-3-yl) 2-thiophen-2-ylquinoline-4-carboxylate.
What is the SMILES notation for (2-oxooxolan-3-yl) 2-thiophen-2-ylquinoline-4-carboxylate?
The canonical SMILES for (2-oxooxolan-3-yl) 2-thiophen-2-ylquinoline-4-carboxylate is O=C(OC1CCOC1=O)c1cc(-c2cccs2)nc2ccccc12.
What is the InChIKey of (2-oxooxolan-3-yl) 2-thiophen-2-ylquinoline-4-carboxylate?
The InChIKey is QHHRGGYLVVFJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO4S/c20-17(23-15-7-8-22-18(15)21)12-10-14(16-6-3-9-24-16)19-13-5-2-1-4-11(12)13/h1-6,9-10,15H,7-8H2.
What are the key properties of (2-oxooxolan-3-yl) 2-thiophen-2-ylquinoline-4-carboxylate?
(2-oxooxolan-3-yl) 2-thiophen-2-ylquinoline-4-carboxylate has a molecular weight of 339.37 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxooxolan-3-yl) 2-thiophen-2-ylquinoline-4-carboxylate is sourced from PubChem (CID 3640616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).