2-(4-methylquinolin-2-yl)sulfanylpropanoic acid

C13H13NO2S — CID 2939635

IUPAC2-(4-methylquinolin-2-yl)sulfanylpropanoic acid
SMILESCc1cc(SC(C)C(=O)O)nc2ccccc12
InChIInChI=1S/C13H13NO2S/c1-8-7-12(17-9(2)13(15)16)14-11-6-4-3-5-10(8)11/h3-7,9H,1-2H3,(H,15,16)
InChIKeyPZYFRXRGRLCMPV-UHFFFAOYSA-N
MW247.32 g/mol
LogP3.11
Rot. Bonds3

About 2-(4-methylquinolin-2-yl)sulfanylpropanoic acid

2-(4-methylquinolin-2-yl)sulfanylpropanoic acid (PubChem CID 2939635) has the molecular formula C13H13NO2S and a molecular weight of 247.32 g/mol. Its IUPAC name is 2-(4-methylquinolin-2-yl)sulfanylpropanoic acid.

Molecular Properties

Compound Name2-(4-methylquinolin-2-yl)sulfanylpropanoic acid
PubChem CID2939635
Molecular FormulaC13H13NO2S
Molecular Weight247.32 g/mol
Exact Mass247.07
IUPAC Name2-(4-methylquinolin-2-yl)sulfanylpropanoic acid
SMILESCc1cc(SC(C)C(=O)O)nc2ccccc12
InChIInChI=1S/C13H13NO2S/c1-8-7-12(17-9(2)13(15)16)14-11-6-4-3-5-10(8)11/h3-7,9H,1-2H3,(H,15,16)
InChIKeyPZYFRXRGRLCMPV-UHFFFAOYSA-N
XLogP3.11
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylquinolin-2-yl)sulfanylpropanoic acid?
The IUPAC name of 2-(4-methylquinolin-2-yl)sulfanylpropanoic acid (CID 2939635) is 2-(4-methylquinolin-2-yl)sulfanylpropanoic acid.
What is the SMILES notation for 2-(4-methylquinolin-2-yl)sulfanylpropanoic acid?
The canonical SMILES for 2-(4-methylquinolin-2-yl)sulfanylpropanoic acid is Cc1cc(SC(C)C(=O)O)nc2ccccc12.
What is the InChIKey of 2-(4-methylquinolin-2-yl)sulfanylpropanoic acid?
The InChIKey is PZYFRXRGRLCMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2S/c1-8-7-12(17-9(2)13(15)16)14-11-6-4-3-5-10(8)11/h3-7,9H,1-2H3,(H,15,16).
What are the key properties of 2-(4-methylquinolin-2-yl)sulfanylpropanoic acid?
2-(4-methylquinolin-2-yl)sulfanylpropanoic acid has a molecular weight of 247.32 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylquinolin-2-yl)sulfanylpropanoic acid is sourced from PubChem (CID 2939635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).