2-(3-fluorophenyl)sulfanyl-1-quinolin-5-ylethanone

C17H12FNOS — CID 81197710

IUPAC2-(3-fluorophenyl)sulfanyl-1-quinolin-5-ylethanone
SMILESO=C(CSc1cccc(F)c1)c1cccc2ncccc12
InChIInChI=1S/C17H12FNOS/c18-12-4-1-5-13(10-12)21-11-17(20)15-6-2-8-16-14(15)7-3-9-19-16/h1-10H,11H2
InChIKeyPIBRJCSRVRKSKF-UHFFFAOYSA-N
MW297.35 g/mol
LogP4.35
Rot. Bonds4

About 2-(3-fluorophenyl)sulfanyl-1-quinolin-5-ylethanone

2-(3-fluorophenyl)sulfanyl-1-quinolin-5-ylethanone (PubChem CID 81197710) has the molecular formula C17H12FNOS and a molecular weight of 297.35 g/mol. Its IUPAC name is 2-(3-fluorophenyl)sulfanyl-1-quinolin-5-ylethanone.

Molecular Properties

Compound Name2-(3-fluorophenyl)sulfanyl-1-quinolin-5-ylethanone
PubChem CID81197710
Molecular FormulaC17H12FNOS
Molecular Weight297.35 g/mol
Exact Mass297.06
IUPAC Name2-(3-fluorophenyl)sulfanyl-1-quinolin-5-ylethanone
SMILESO=C(CSc1cccc(F)c1)c1cccc2ncccc12
InChIInChI=1S/C17H12FNOS/c18-12-4-1-5-13(10-12)21-11-17(20)15-6-2-8-16-14(15)7-3-9-19-16/h1-10H,11H2
InChIKeyPIBRJCSRVRKSKF-UHFFFAOYSA-N
XLogP4.35
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylphenyl)sulfanyl-1-quinolin-5-ylethanone
CID 81198020
(3-fluorophenyl)-quinolin-5-ylmethanone
CID 81216607
2-tert-butylsulfanyl-1-quinolin-5-ylethanone
CID 81220116
2-(3-fluorophenyl)-1-quinolin-4-ylethanone
CID 105080568
3,3,3-trifluoro-1-quinolin-5-ylpropan-1-one
CID 81220780
1-quinolin-5-ylbut-3-yn-1-one
CID 105076404
2-(3-fluorophenyl)sulfanyl-1-pyrimidin-5-ylethanone
CID 66070805
(2-bromo-5-fluorophenyl)-quinolin-5-ylmethanone
CID 115789832
1-(2-amino-3-pyridinyl)-2-(3-chlorophenyl)sulfanylethanone
CID 66148493
3-methyl-1-quinolin-5-ylbut-3-en-1-one
CID 105112604
1-quinolin-5-ylhexan-1-one
CID 115789824
2,2,2-trifluoro-1-quinolin-5-ylethanone
CID 81220183

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)sulfanyl-1-quinolin-5-ylethanone?
The IUPAC name of 2-(3-fluorophenyl)sulfanyl-1-quinolin-5-ylethanone (CID 81197710) is 2-(3-fluorophenyl)sulfanyl-1-quinolin-5-ylethanone.
What is the SMILES notation for 2-(3-fluorophenyl)sulfanyl-1-quinolin-5-ylethanone?
The canonical SMILES for 2-(3-fluorophenyl)sulfanyl-1-quinolin-5-ylethanone is O=C(CSc1cccc(F)c1)c1cccc2ncccc12.
What is the InChIKey of 2-(3-fluorophenyl)sulfanyl-1-quinolin-5-ylethanone?
The InChIKey is PIBRJCSRVRKSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FNOS/c18-12-4-1-5-13(10-12)21-11-17(20)15-6-2-8-16-14(15)7-3-9-19-16/h1-10H,11H2.
What are the key properties of 2-(3-fluorophenyl)sulfanyl-1-quinolin-5-ylethanone?
2-(3-fluorophenyl)sulfanyl-1-quinolin-5-ylethanone has a molecular weight of 297.35 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)sulfanyl-1-quinolin-5-ylethanone is sourced from PubChem (CID 81197710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).