1-[6-(methoxymethyl)quinolin-4-yl]sulfanylcyclobutane-1-carboxylic acid

C16H17NO3S — CID 86294308

IUPAC1-[6-(methoxymethyl)quinolin-4-yl]sulfanylcyclobutane-1-carboxylic acid
SMILESCOCc1ccc2nccc(SC3(C(=O)O)CCC3)c2c1
InChIInChI=1S/C16H17NO3S/c1-20-10-11-3-4-13-12(9-11)14(5-8-17-13)21-16(15(18)19)6-2-7-16/h3-5,8-9H,2,6-7,10H2,1H3,(H,18,19)
InChIKeyUIWLHZJJYBOJOU-UHFFFAOYSA-N
MW303.38 g/mol
LogP3.48
Rot. Bonds5

About 1-[6-(methoxymethyl)quinolin-4-yl]sulfanylcyclobutane-1-carboxylic acid

1-[6-(methoxymethyl)quinolin-4-yl]sulfanylcyclobutane-1-carboxylic acid (PubChem CID 86294308) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is 1-[6-(methoxymethyl)quinolin-4-yl]sulfanylcyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[6-(methoxymethyl)quinolin-4-yl]sulfanylcyclobutane-1-carboxylic acid
PubChem CID86294308
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC Name1-[6-(methoxymethyl)quinolin-4-yl]sulfanylcyclobutane-1-carboxylic acid
SMILESCOCc1ccc2nccc(SC3(C(=O)O)CCC3)c2c1
InChIInChI=1S/C16H17NO3S/c1-20-10-11-3-4-13-12(9-11)14(5-8-17-13)21-16(15(18)19)6-2-7-16/h3-5,8-9H,2,6-7,10H2,1H3,(H,18,19)
InChIKeyUIWLHZJJYBOJOU-UHFFFAOYSA-N
XLogP3.48
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[6-(methoxymethyl)quinolin-4-yl]sulfanylcyclobutane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[6-(methoxymethyl)quinolin-4-yl]sulfanylcyclobutane-1-carboxylic acid?
The IUPAC name of 1-[6-(methoxymethyl)quinolin-4-yl]sulfanylcyclobutane-1-carboxylic acid (CID 86294308) is 1-[6-(methoxymethyl)quinolin-4-yl]sulfanylcyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[6-(methoxymethyl)quinolin-4-yl]sulfanylcyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[6-(methoxymethyl)quinolin-4-yl]sulfanylcyclobutane-1-carboxylic acid is COCc1ccc2nccc(SC3(C(=O)O)CCC3)c2c1.
What is the InChIKey of 1-[6-(methoxymethyl)quinolin-4-yl]sulfanylcyclobutane-1-carboxylic acid?
The InChIKey is UIWLHZJJYBOJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3S/c1-20-10-11-3-4-13-12(9-11)14(5-8-17-13)21-16(15(18)19)6-2-7-16/h3-5,8-9H,2,6-7,10H2,1H3,(H,18,19).
What are the key properties of 1-[6-(methoxymethyl)quinolin-4-yl]sulfanylcyclobutane-1-carboxylic acid?
1-[6-(methoxymethyl)quinolin-4-yl]sulfanylcyclobutane-1-carboxylic acid has a molecular weight of 303.38 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(methoxymethyl)quinolin-4-yl]sulfanylcyclobutane-1-carboxylic acid is sourced from PubChem (CID 86294308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).