4-fluoro-2-[4-methyl-6-(methylsulfonylmethyl)quinolin-2-yl]phenol

C18H16FNO3S — CID 170509759

IUPAC4-fluoro-2-[4-methyl-6-(methylsulfonylmethyl)quinolin-2-yl]phenol
SMILESCc1cc(-c2cc(F)ccc2O)nc2ccc(CS(C)(=O)=O)cc12
InChIInChI=1S/C18H16FNO3S/c1-11-7-17(15-9-13(19)4-6-18(15)21)20-16-5-3-12(8-14(11)16)10-24(2,22)23/h3-9,21H,10H2,1-2H3
InChIKeySTIHXFOCZIDOBL-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.60
Rot. Bonds3

About 4-fluoro-2-[4-methyl-6-(methylsulfonylmethyl)quinolin-2-yl]phenol

4-fluoro-2-[4-methyl-6-(methylsulfonylmethyl)quinolin-2-yl]phenol (PubChem CID 170509759) has the molecular formula C18H16FNO3S and a molecular weight of 345.40 g/mol. Its IUPAC name is 4-fluoro-2-[4-methyl-6-(methylsulfonylmethyl)quinolin-2-yl]phenol.

Molecular Properties

Compound Name4-fluoro-2-[4-methyl-6-(methylsulfonylmethyl)quinolin-2-yl]phenol
PubChem CID170509759
Molecular FormulaC18H16FNO3S
Molecular Weight345.40 g/mol
Exact Mass345.08
IUPAC Name4-fluoro-2-[4-methyl-6-(methylsulfonylmethyl)quinolin-2-yl]phenol
SMILESCc1cc(-c2cc(F)ccc2O)nc2ccc(CS(C)(=O)=O)cc12
InChIInChI=1S/C18H16FNO3S/c1-11-7-17(15-9-13(19)4-6-18(15)21)20-16-5-3-12(8-14(11)16)10-24(2,22)23/h3-9,21H,10H2,1-2H3
InChIKeySTIHXFOCZIDOBL-UHFFFAOYSA-N
XLogP3.60
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-ethyl-2-(5-fluoro-2-methoxyphenyl)quinoline-4-carboxylic acid
CID 4538129
2-(4-methyl-3-pyridinyl)-5-(methylsulfonylmethyl)phenol
CID 160647577
N-cyclopropyl-2-[2-(4-fluorophenyl)-4-methylquinolin-6-yl]acetamide
CID 170505736
2-amino-4-(methylsulfonylmethyl)phenol
CID 117221684
2-[2-(5-hydroxy-2-methoxyphenyl)-4-methylquinolin-6-yl]-N,N-dimethylacetamide
CID 169412688
4-cyclopropyl-6-(methylsulfonylmethyl)-2-(1H-pyrazol-5-yl)quinoline
CID 170513105
1,2-dimethyl-4-(methylsulfonylmethyl)benzene
CID 89331302
1-[4-[2-(4-fluoro-2-methylphenyl)-4-methylquinolin-6-yl]piperazin-1-yl]ethanone
CID 169411618
ethane;6-fluoro-2,4-dimethylquinoline
CID 142222878
2-[2-(2,5-dimethoxy-4-methylsulfanylphenyl)-4-methylquinolin-6-yl]-N-methylacetamide
CID 169414898
2-[5-[(2S)-2-amino-3-phenylpropoxy]-3-(3-methyl-2H-indazol-5-yl)-2-pyridinyl]-4-fluorophenol
CID 135971439
2-[4-fluoro-2-(trifluoromethyl)phenyl]-5-(methylsulfonylmethyl)pyridine
CID 74250665

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[4-methyl-6-(methylsulfonylmethyl)quinolin-2-yl]phenol?
The IUPAC name of 4-fluoro-2-[4-methyl-6-(methylsulfonylmethyl)quinolin-2-yl]phenol (CID 170509759) is 4-fluoro-2-[4-methyl-6-(methylsulfonylmethyl)quinolin-2-yl]phenol.
What is the SMILES notation for 4-fluoro-2-[4-methyl-6-(methylsulfonylmethyl)quinolin-2-yl]phenol?
The canonical SMILES for 4-fluoro-2-[4-methyl-6-(methylsulfonylmethyl)quinolin-2-yl]phenol is Cc1cc(-c2cc(F)ccc2O)nc2ccc(CS(C)(=O)=O)cc12.
What is the InChIKey of 4-fluoro-2-[4-methyl-6-(methylsulfonylmethyl)quinolin-2-yl]phenol?
The InChIKey is STIHXFOCZIDOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO3S/c1-11-7-17(15-9-13(19)4-6-18(15)21)20-16-5-3-12(8-14(11)16)10-24(2,22)23/h3-9,21H,10H2,1-2H3.
What are the key properties of 4-fluoro-2-[4-methyl-6-(methylsulfonylmethyl)quinolin-2-yl]phenol?
4-fluoro-2-[4-methyl-6-(methylsulfonylmethyl)quinolin-2-yl]phenol has a molecular weight of 345.40 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[4-methyl-6-(methylsulfonylmethyl)quinolin-2-yl]phenol is sourced from PubChem (CID 170509759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).