8-fluoro-3-(2-methylsulfinylphenyl)quinolin-2-amine

C16H13FN2OS — CID 59634666

IUPAC8-fluoro-3-(2-methylsulfinylphenyl)quinolin-2-amine
SMILESCS(=O)c1ccccc1-c1cc2cccc(F)c2nc1N
InChIInChI=1S/C16H13FN2OS/c1-21(20)14-8-3-2-6-11(14)12-9-10-5-4-7-13(17)15(10)19-16(12)18/h2-9H,1H3,(H2,18,19)
InChIKeyGDUUUQVBUZHRGX-UHFFFAOYSA-N
MW300.36 g/mol
LogP3.36
Rot. Bonds2

About 8-fluoro-3-(2-methylsulfinylphenyl)quinolin-2-amine

8-fluoro-3-(2-methylsulfinylphenyl)quinolin-2-amine (PubChem CID 59634666) has the molecular formula C16H13FN2OS and a molecular weight of 300.36 g/mol. Its IUPAC name is 8-fluoro-3-(2-methylsulfinylphenyl)quinolin-2-amine.

Molecular Properties

Compound Name8-fluoro-3-(2-methylsulfinylphenyl)quinolin-2-amine
PubChem CID59634666
Molecular FormulaC16H13FN2OS
Molecular Weight300.36 g/mol
Exact Mass300.07
IUPAC Name8-fluoro-3-(2-methylsulfinylphenyl)quinolin-2-amine
SMILESCS(=O)c1ccccc1-c1cc2cccc(F)c2nc1N
InChIInChI=1S/C16H13FN2OS/c1-21(20)14-8-3-2-6-11(14)12-9-10-5-4-7-13(17)15(10)19-16(12)18/h2-9H,1H3,(H2,18,19)
InChIKeyGDUUUQVBUZHRGX-UHFFFAOYSA-N
XLogP3.36
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-3-(2-methylsulfinylphenyl)quinolin-2-amine?
The IUPAC name of 8-fluoro-3-(2-methylsulfinylphenyl)quinolin-2-amine (CID 59634666) is 8-fluoro-3-(2-methylsulfinylphenyl)quinolin-2-amine.
What is the SMILES notation for 8-fluoro-3-(2-methylsulfinylphenyl)quinolin-2-amine?
The canonical SMILES for 8-fluoro-3-(2-methylsulfinylphenyl)quinolin-2-amine is CS(=O)c1ccccc1-c1cc2cccc(F)c2nc1N.
What is the InChIKey of 8-fluoro-3-(2-methylsulfinylphenyl)quinolin-2-amine?
The InChIKey is GDUUUQVBUZHRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2OS/c1-21(20)14-8-3-2-6-11(14)12-9-10-5-4-7-13(17)15(10)19-16(12)18/h2-9H,1H3,(H2,18,19).
What are the key properties of 8-fluoro-3-(2-methylsulfinylphenyl)quinolin-2-amine?
8-fluoro-3-(2-methylsulfinylphenyl)quinolin-2-amine has a molecular weight of 300.36 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-3-(2-methylsulfinylphenyl)quinolin-2-amine is sourced from PubChem (CID 59634666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).