2-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]quinoline

C17H14FNOS — CID 112781074

IUPAC2-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]quinoline
SMILESCOc1ccc(CSc2ccc3ccccc3n2)cc1F
InChIInChI=1S/C17H14FNOS/c1-20-16-8-6-12(10-14(16)18)11-21-17-9-7-13-4-2-3-5-15(13)19-17/h2-10H,11H2,1H3
InChIKeyMSNXUVBIJAWHLX-UHFFFAOYSA-N
MW299.37 g/mol
LogP4.67
Rot. Bonds4

About 2-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]quinoline

2-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]quinoline (PubChem CID 112781074) has the molecular formula C17H14FNOS and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]quinoline.

Molecular Properties

Compound Name2-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]quinoline
PubChem CID112781074
Molecular FormulaC17H14FNOS
Molecular Weight299.37 g/mol
Exact Mass299.08
IUPAC Name2-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]quinoline
SMILESCOc1ccc(CSc2ccc3ccccc3n2)cc1F
InChIInChI=1S/C17H14FNOS/c1-20-16-8-6-12(10-14(16)18)11-21-17-9-7-13-4-2-3-5-15(13)19-17/h2-10H,11H2,1H3
InChIKeyMSNXUVBIJAWHLX-UHFFFAOYSA-N
XLogP4.67
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]quinoline
CID 69237606
2-[(3,5-difluorophenyl)methylsulfanyl]quinoline
CID 135186490
6-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]pyridin-3-amine
CID 43301402
2-[(3-fluoro-4-methoxyphenyl)methyl]naphthalene
CID 132602819
4-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]aniline
CID 43299370
3-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]aniline
CID 79134485
N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]quinoline-2-carboxamide
CID 18115688
2-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-4,5-diphenyl-1,3-oxazole
CID 7228322
(3-fluoro-4-methoxyphenyl)methyl (E)-3-quinolin-2-ylprop-2-enoate
CID 2512219
3-(quinolin-2-ylsulfanylmethyl)benzonitrile
CID 7754771
4-(ethylsulfanylmethyl)-2-fluoro-1-methoxybenzene
CID 78851396
3-fluoro-4-methoxy-N-(quinolin-2-ylmethyl)aniline
CID 43380780

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]quinoline?
The IUPAC name of 2-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]quinoline (CID 112781074) is 2-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]quinoline.
What is the SMILES notation for 2-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]quinoline?
The canonical SMILES for 2-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]quinoline is COc1ccc(CSc2ccc3ccccc3n2)cc1F.
What is the InChIKey of 2-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]quinoline?
The InChIKey is MSNXUVBIJAWHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNOS/c1-20-16-8-6-12(10-14(16)18)11-21-17-9-7-13-4-2-3-5-15(13)19-17/h2-10H,11H2,1H3.
What are the key properties of 2-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]quinoline?
2-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]quinoline has a molecular weight of 299.37 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]quinoline is sourced from PubChem (CID 112781074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).