8-fluoro-3-(3-fluoro-2-propan-2-ylsulfinylphenoxy)quinoline

C36H30F4N2O4S2 — CID 159588412

IUPAC8-fluoro-3-(3-fluoro-2-propan-2-ylsulfinylphenoxy)quinoline
SMILESCC(C)S(=O)c1c(F)cccc1Oc1cnc2c(F)cccc2c1.CC(C)S(=O)c1c(F)cccc1Oc1cnc2c(F)cccc2c1
InChIInChI=1S/2C18H15F2NO2S/c2*1-11(2)24(22)18-15(20)7-4-8-16(18)23-13-9-12-5-3-6-14(19)17(12)21-10-13/h2*3-11H,1-2H3
InChIKeyMJXTZWIUMUIYJK-UHFFFAOYSA-N
MW694.77 g/mol
LogP9.64
Rot. Bonds8

About 8-fluoro-3-(3-fluoro-2-propan-2-ylsulfinylphenoxy)quinoline

8-fluoro-3-(3-fluoro-2-propan-2-ylsulfinylphenoxy)quinoline (PubChem CID 159588412) has the molecular formula C36H30F4N2O4S2 and a molecular weight of 694.77 g/mol. Its IUPAC name is 8-fluoro-3-(3-fluoro-2-propan-2-ylsulfinylphenoxy)quinoline.

Molecular Properties

Compound Name8-fluoro-3-(3-fluoro-2-propan-2-ylsulfinylphenoxy)quinoline
PubChem CID159588412
Molecular FormulaC36H30F4N2O4S2
Molecular Weight694.77 g/mol
Exact Mass694.16
IUPAC Name8-fluoro-3-(3-fluoro-2-propan-2-ylsulfinylphenoxy)quinoline
SMILESCC(C)S(=O)c1c(F)cccc1Oc1cnc2c(F)cccc2c1.CC(C)S(=O)c1c(F)cccc1Oc1cnc2c(F)cccc2c1
InChIInChI=1S/2C18H15F2NO2S/c2*1-11(2)24(22)18-15(20)7-4-8-16(18)23-13-9-12-5-3-6-14(19)17(12)21-10-13/h2*3-11H,1-2H3
InChIKeyMJXTZWIUMUIYJK-UHFFFAOYSA-N
XLogP9.64
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500694.77
LogP ≤ 59.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-fluoro-3-(3-fluoro-2-propan-2-ylsulfinylphenoxy)quinoline with MolForge

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

Launch Full Analysis

Related Compounds

1-[2-fluoro-6-(8-fluoroquinolin-3-yl)oxyphenyl]-2-hydroxypropan-1-one
CID 123839241
1,1-difluoro-1-[2-fluoro-6-(8-fluoroquinolin-3-yl)oxyphenyl]-2-methylpropan-2-ol
CID 70968073
3-[3-(8-fluoroquinolin-3-yl)oxy-2-pyridinyl]-3-methylbutan-2-ol;2-[3-(8-fluoroquinolin-3-yl)oxy-2-pyridinyl]-2-methylpropanal
CID 161283155
[2-(8-fluoroquinolin-3-yl)oxyphenyl]methyl-dimethyl-thiophen-2-ylsilane
CID 142465668
1-(2-fluoro-6-quinolin-3-yloxyphenyl)ethanone
CID 107387266
1-(8-fluoroquinolin-3-yl)ethanone
CID 75355413
3-(3-fluoro-2-nitrophenoxy)quinoline
CID 107387070
3,8-diethoxyquinoline
CID 45094466
2,3-dibromo-5-[3-fluoro-2-(1-methoxyethyl)phenoxy]pyridine
CID 129188268
2-[(8-fluoroquinoline-3-carbonyl)amino]propanoic acid
CID 110489629
1-[2-[(5,6-dibromo-3-pyridinyl)oxy]-6-fluorophenyl]ethanone
CID 129188244
8-fluoroquinoline-3-carboxylic acid;hydrate
CID 90668422

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-3-(3-fluoro-2-propan-2-ylsulfinylphenoxy)quinoline?
The IUPAC name of 8-fluoro-3-(3-fluoro-2-propan-2-ylsulfinylphenoxy)quinoline (CID 159588412) is 8-fluoro-3-(3-fluoro-2-propan-2-ylsulfinylphenoxy)quinoline.
What is the SMILES notation for 8-fluoro-3-(3-fluoro-2-propan-2-ylsulfinylphenoxy)quinoline?
The canonical SMILES for 8-fluoro-3-(3-fluoro-2-propan-2-ylsulfinylphenoxy)quinoline is CC(C)S(=O)c1c(F)cccc1Oc1cnc2c(F)cccc2c1.CC(C)S(=O)c1c(F)cccc1Oc1cnc2c(F)cccc2c1.
What is the InChIKey of 8-fluoro-3-(3-fluoro-2-propan-2-ylsulfinylphenoxy)quinoline?
The InChIKey is MJXTZWIUMUIYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H15F2NO2S/c2*1-11(2)24(22)18-15(20)7-4-8-16(18)23-13-9-12-5-3-6-14(19)17(12)21-10-13/h2*3-11H,1-2H3.
What are the key properties of 8-fluoro-3-(3-fluoro-2-propan-2-ylsulfinylphenoxy)quinoline?
8-fluoro-3-(3-fluoro-2-propan-2-ylsulfinylphenoxy)quinoline has a molecular weight of 694.77 g/mol, XLogP of 9.64, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-3-(3-fluoro-2-propan-2-ylsulfinylphenoxy)quinoline is sourced from PubChem (CID 159588412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).