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

C15H15NO3S — CID 86294128

IUPAC1-(6-methoxyquinolin-4-yl)sulfanylcyclobutane-1-carboxylic acid
SMILESCOc1ccc2nccc(SC3(C(=O)O)CCC3)c2c1
InChIInChI=1S/C15H15NO3S/c1-19-10-3-4-12-11(9-10)13(5-8-16-12)20-15(14(17)18)6-2-7-15/h3-5,8-9H,2,6-7H2,1H3,(H,17,18)
InChIKeyGGRHUZYQEPPMKD-UHFFFAOYSA-N
MW289.36 g/mol
LogP3.34
Rot. Bonds4

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

1-(6-methoxyquinolin-4-yl)sulfanylcyclobutane-1-carboxylic acid (PubChem CID 86294128) has the molecular formula C15H15NO3S and a molecular weight of 289.36 g/mol. Its IUPAC name is 1-(6-methoxyquinolin-4-yl)sulfanylcyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(6-methoxyquinolin-4-yl)sulfanylcyclobutane-1-carboxylic acid
PubChem CID86294128
Molecular FormulaC15H15NO3S
Molecular Weight289.36 g/mol
Exact Mass289.08
IUPAC Name1-(6-methoxyquinolin-4-yl)sulfanylcyclobutane-1-carboxylic acid
SMILESCOc1ccc2nccc(SC3(C(=O)O)CCC3)c2c1
InChIInChI=1S/C15H15NO3S/c1-19-10-3-4-12-11(9-10)13(5-8-16-12)20-15(14(17)18)6-2-7-15/h3-5,8-9H,2,6-7H2,1H3,(H,17,18)
InChIKeyGGRHUZYQEPPMKD-UHFFFAOYSA-N
XLogP3.34
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxyquinolin-4-yl)sulfanylcyclobutane-1-carboxylic acid?
The IUPAC name of 1-(6-methoxyquinolin-4-yl)sulfanylcyclobutane-1-carboxylic acid (CID 86294128) is 1-(6-methoxyquinolin-4-yl)sulfanylcyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(6-methoxyquinolin-4-yl)sulfanylcyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(6-methoxyquinolin-4-yl)sulfanylcyclobutane-1-carboxylic acid is COc1ccc2nccc(SC3(C(=O)O)CCC3)c2c1.
What is the InChIKey of 1-(6-methoxyquinolin-4-yl)sulfanylcyclobutane-1-carboxylic acid?
The InChIKey is GGRHUZYQEPPMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3S/c1-19-10-3-4-12-11(9-10)13(5-8-16-12)20-15(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-methoxyquinolin-4-yl)sulfanylcyclobutane-1-carboxylic acid?
1-(6-methoxyquinolin-4-yl)sulfanylcyclobutane-1-carboxylic acid has a molecular weight of 289.36 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxyquinolin-4-yl)sulfanylcyclobutane-1-carboxylic acid is sourced from PubChem (CID 86294128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).