[8-fluoro-3-(2-methylsulfonylphenyl)quinolin-2-yl]methanamine

C17H15FN2O2S — CID 59634635

IUPAC[8-fluoro-3-(2-methylsulfonylphenyl)quinolin-2-yl]methanamine
SMILESCS(=O)(=O)c1ccccc1-c1cc2cccc(F)c2nc1CN
InChIInChI=1S/C17H15FN2O2S/c1-23(21,22)16-8-3-2-6-12(16)13-9-11-5-4-7-14(18)17(11)20-15(13)10-19/h2-9H,10,19H2,1H3
InChIKeyCNACRJLQDIVAFH-UHFFFAOYSA-N
MW330.38 g/mol
LogP2.90
Rot. Bonds3

About [8-fluoro-3-(2-methylsulfonylphenyl)quinolin-2-yl]methanamine

[8-fluoro-3-(2-methylsulfonylphenyl)quinolin-2-yl]methanamine (PubChem CID 59634635) has the molecular formula C17H15FN2O2S and a molecular weight of 330.38 g/mol. Its IUPAC name is [8-fluoro-3-(2-methylsulfonylphenyl)quinolin-2-yl]methanamine.

Molecular Properties

Compound Name[8-fluoro-3-(2-methylsulfonylphenyl)quinolin-2-yl]methanamine
PubChem CID59634635
Molecular FormulaC17H15FN2O2S
Molecular Weight330.38 g/mol
Exact Mass330.08
IUPAC Name[8-fluoro-3-(2-methylsulfonylphenyl)quinolin-2-yl]methanamine
SMILESCS(=O)(=O)c1ccccc1-c1cc2cccc(F)c2nc1CN
InChIInChI=1S/C17H15FN2O2S/c1-23(21,22)16-8-3-2-6-12(16)13-9-11-5-4-7-14(18)17(11)20-15(13)10-19/h2-9H,10,19H2,1H3
InChIKeyCNACRJLQDIVAFH-UHFFFAOYSA-N
XLogP2.90
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [8-fluoro-3-(2-methylsulfonylphenyl)quinolin-2-yl]methanamine 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 [8-fluoro-3-(2-methylsulfonylphenyl)quinolin-2-yl]methanamine?
The IUPAC name of [8-fluoro-3-(2-methylsulfonylphenyl)quinolin-2-yl]methanamine (CID 59634635) is [8-fluoro-3-(2-methylsulfonylphenyl)quinolin-2-yl]methanamine.
What is the SMILES notation for [8-fluoro-3-(2-methylsulfonylphenyl)quinolin-2-yl]methanamine?
The canonical SMILES for [8-fluoro-3-(2-methylsulfonylphenyl)quinolin-2-yl]methanamine is CS(=O)(=O)c1ccccc1-c1cc2cccc(F)c2nc1CN.
What is the InChIKey of [8-fluoro-3-(2-methylsulfonylphenyl)quinolin-2-yl]methanamine?
The InChIKey is CNACRJLQDIVAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2S/c1-23(21,22)16-8-3-2-6-12(16)13-9-11-5-4-7-14(18)17(11)20-15(13)10-19/h2-9H,10,19H2,1H3.
What are the key properties of [8-fluoro-3-(2-methylsulfonylphenyl)quinolin-2-yl]methanamine?
[8-fluoro-3-(2-methylsulfonylphenyl)quinolin-2-yl]methanamine has a molecular weight of 330.38 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [8-fluoro-3-(2-methylsulfonylphenyl)quinolin-2-yl]methanamine is sourced from PubChem (CID 59634635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).