1-(6-methylquinolin-4-yl)sulfanylcyclobutane-1-carboxylic acid

C15H15NO2S — CID 86291818

IUPAC1-(6-methylquinolin-4-yl)sulfanylcyclobutane-1-carboxylic acid
SMILESCc1ccc2nccc(SC3(C(=O)O)CCC3)c2c1
InChIInChI=1S/C15H15NO2S/c1-10-3-4-12-11(9-10)13(5-8-16-12)19-15(14(17)18)6-2-7-15/h3-5,8-9H,2,6-7H2,1H3,(H,17,18)
InChIKeyNKWAZUCNSBQFEX-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.64
Rot. Bonds3

About 1-(6-methylquinolin-4-yl)sulfanylcyclobutane-1-carboxylic acid

1-(6-methylquinolin-4-yl)sulfanylcyclobutane-1-carboxylic acid (PubChem CID 86291818) has the molecular formula C15H15NO2S and a molecular weight of 273.36 g/mol. Its IUPAC name is 1-(6-methylquinolin-4-yl)sulfanylcyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(6-methylquinolin-4-yl)sulfanylcyclobutane-1-carboxylic acid
PubChem CID86291818
Molecular FormulaC15H15NO2S
Molecular Weight273.36 g/mol
Exact Mass273.08
IUPAC Name1-(6-methylquinolin-4-yl)sulfanylcyclobutane-1-carboxylic acid
SMILESCc1ccc2nccc(SC3(C(=O)O)CCC3)c2c1
InChIInChI=1S/C15H15NO2S/c1-10-3-4-12-11(9-10)13(5-8-16-12)19-15(14(17)18)6-2-7-15/h3-5,8-9H,2,6-7H2,1H3,(H,17,18)
InChIKeyNKWAZUCNSBQFEX-UHFFFAOYSA-N
XLogP3.64
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methylquinolin-4-yl)sulfanylcyclobutane-1-carboxylic acid?
The IUPAC name of 1-(6-methylquinolin-4-yl)sulfanylcyclobutane-1-carboxylic acid (CID 86291818) is 1-(6-methylquinolin-4-yl)sulfanylcyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(6-methylquinolin-4-yl)sulfanylcyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(6-methylquinolin-4-yl)sulfanylcyclobutane-1-carboxylic acid is Cc1ccc2nccc(SC3(C(=O)O)CCC3)c2c1.
What is the InChIKey of 1-(6-methylquinolin-4-yl)sulfanylcyclobutane-1-carboxylic acid?
The InChIKey is NKWAZUCNSBQFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2S/c1-10-3-4-12-11(9-10)13(5-8-16-12)19-15(14(17)18)6-2-7-15/h3-5,8-9H,2,6-7H2,1H3,(H,17,18).
What are the key properties of 1-(6-methylquinolin-4-yl)sulfanylcyclobutane-1-carboxylic acid?
1-(6-methylquinolin-4-yl)sulfanylcyclobutane-1-carboxylic acid has a molecular weight of 273.36 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methylquinolin-4-yl)sulfanylcyclobutane-1-carboxylic acid is sourced from PubChem (CID 86291818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).