2-(2-methylfuran-3-yl)sulfanylquinoline-5-carboxylic acid

C15H11NO3S — CID 107779248

IUPAC2-(2-methylfuran-3-yl)sulfanylquinoline-5-carboxylic acid
SMILESCc1occc1Sc1ccc2c(C(=O)O)cccc2n1
InChIInChI=1S/C15H11NO3S/c1-9-13(7-8-19-9)20-14-6-5-10-11(15(17)18)3-2-4-12(10)16-14/h2-8H,1H3,(H,17,18)
InChIKeyGOPXOZGANJDZAI-UHFFFAOYSA-N
MW285.32 g/mol
LogP3.99
Rot. Bonds3

About 2-(2-methylfuran-3-yl)sulfanylquinoline-5-carboxylic acid

2-(2-methylfuran-3-yl)sulfanylquinoline-5-carboxylic acid (PubChem CID 107779248) has the molecular formula C15H11NO3S and a molecular weight of 285.32 g/mol. Its IUPAC name is 2-(2-methylfuran-3-yl)sulfanylquinoline-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-methylfuran-3-yl)sulfanylquinoline-5-carboxylic acid
PubChem CID107779248
Molecular FormulaC15H11NO3S
Molecular Weight285.32 g/mol
Exact Mass285.05
IUPAC Name2-(2-methylfuran-3-yl)sulfanylquinoline-5-carboxylic acid
SMILESCc1occc1Sc1ccc2c(C(=O)O)cccc2n1
InChIInChI=1S/C15H11NO3S/c1-9-13(7-8-19-9)20-14-6-5-10-11(15(17)18)3-2-4-12(10)16-14/h2-8H,1H3,(H,17,18)
InChIKeyGOPXOZGANJDZAI-UHFFFAOYSA-N
XLogP3.99
TPSA63.33 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 ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylfuran-3-yl)sulfanylquinoline-5-carboxylic acid?
The IUPAC name of 2-(2-methylfuran-3-yl)sulfanylquinoline-5-carboxylic acid (CID 107779248) is 2-(2-methylfuran-3-yl)sulfanylquinoline-5-carboxylic acid.
What is the SMILES notation for 2-(2-methylfuran-3-yl)sulfanylquinoline-5-carboxylic acid?
The canonical SMILES for 2-(2-methylfuran-3-yl)sulfanylquinoline-5-carboxylic acid is Cc1occc1Sc1ccc2c(C(=O)O)cccc2n1.
What is the InChIKey of 2-(2-methylfuran-3-yl)sulfanylquinoline-5-carboxylic acid?
The InChIKey is GOPXOZGANJDZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO3S/c1-9-13(7-8-19-9)20-14-6-5-10-11(15(17)18)3-2-4-12(10)16-14/h2-8H,1H3,(H,17,18).
What are the key properties of 2-(2-methylfuran-3-yl)sulfanylquinoline-5-carboxylic acid?
2-(2-methylfuran-3-yl)sulfanylquinoline-5-carboxylic acid has a molecular weight of 285.32 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylfuran-3-yl)sulfanylquinoline-5-carboxylic acid is sourced from PubChem (CID 107779248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).