(2-oxo-1H-quinolin-3-yl)methyl thiophene-2-carboxylate

C15H11NO3S — CID 1415182

IUPAC(2-oxo-1H-quinolin-3-yl)methyl thiophene-2-carboxylate
SMILESO=C(OCc1cc2ccccc2[nH]c1=O)c1cccs1
InChIInChI=1S/C15H11NO3S/c17-14-11(8-10-4-1-2-5-12(10)16-14)9-19-15(18)13-6-3-7-20-13/h1-8H,9H2,(H,16,17)
InChIKeyJWXXTGLRDUPNLH-UHFFFAOYSA-N
MW285.32 g/mol
LogP2.95
Rot. Bonds3

About (2-oxo-1H-quinolin-3-yl)methyl thiophene-2-carboxylate

(2-oxo-1H-quinolin-3-yl)methyl thiophene-2-carboxylate (PubChem CID 1415182) has the molecular formula C15H11NO3S and a molecular weight of 285.32 g/mol. Its IUPAC name is (2-oxo-1H-quinolin-3-yl)methyl thiophene-2-carboxylate.

Molecular Properties

Compound Name(2-oxo-1H-quinolin-3-yl)methyl thiophene-2-carboxylate
PubChem CID1415182
Molecular FormulaC15H11NO3S
Molecular Weight285.32 g/mol
Exact Mass285.05
IUPAC Name(2-oxo-1H-quinolin-3-yl)methyl thiophene-2-carboxylate
SMILESO=C(OCc1cc2ccccc2[nH]c1=O)c1cccs1
InChIInChI=1S/C15H11NO3S/c17-14-11(8-10-4-1-2-5-12(10)16-14)9-19-15(18)13-6-3-7-20-13/h1-8H,9H2,(H,16,17)
InChIKeyJWXXTGLRDUPNLH-UHFFFAOYSA-N
XLogP2.95
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-oxo-1H-quinolin-3-yl)methyl thiophene-2-carboxylate?
The IUPAC name of (2-oxo-1H-quinolin-3-yl)methyl thiophene-2-carboxylate (CID 1415182) is (2-oxo-1H-quinolin-3-yl)methyl thiophene-2-carboxylate.
What is the SMILES notation for (2-oxo-1H-quinolin-3-yl)methyl thiophene-2-carboxylate?
The canonical SMILES for (2-oxo-1H-quinolin-3-yl)methyl thiophene-2-carboxylate is O=C(OCc1cc2ccccc2[nH]c1=O)c1cccs1.
What is the InChIKey of (2-oxo-1H-quinolin-3-yl)methyl thiophene-2-carboxylate?
The InChIKey is JWXXTGLRDUPNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO3S/c17-14-11(8-10-4-1-2-5-12(10)16-14)9-19-15(18)13-6-3-7-20-13/h1-8H,9H2,(H,16,17).
What are the key properties of (2-oxo-1H-quinolin-3-yl)methyl thiophene-2-carboxylate?
(2-oxo-1H-quinolin-3-yl)methyl thiophene-2-carboxylate has a molecular weight of 285.32 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-1H-quinolin-3-yl)methyl thiophene-2-carboxylate is sourced from PubChem (CID 1415182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).