2-(4-chlorophenyl)-3-(4-fluorophenyl)sulfanyl-1H-quinolin-4-one

C21H13ClFNOS — CID 154707665

IUPAC2-(4-chlorophenyl)-3-(4-fluorophenyl)sulfanyl-1H-quinolin-4-one
SMILESO=c1c(Sc2ccc(F)cc2)c(-c2ccc(Cl)cc2)[nH]c2ccccc12
InChIInChI=1S/C21H13ClFNOS/c22-14-7-5-13(6-8-14)19-21(26-16-11-9-15(23)10-12-16)20(25)17-3-1-2-4-18(17)24-19/h1-12H,(H,24,25)
InChIKeyHYWRKDSRIVTDOA-UHFFFAOYSA-N
MW381.86 g/mol
LogP6.14
Rot. Bonds3

About 2-(4-chlorophenyl)-3-(4-fluorophenyl)sulfanyl-1H-quinolin-4-one

2-(4-chlorophenyl)-3-(4-fluorophenyl)sulfanyl-1H-quinolin-4-one (PubChem CID 154707665) has the molecular formula C21H13ClFNOS and a molecular weight of 381.86 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-(4-fluorophenyl)sulfanyl-1H-quinolin-4-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-(4-fluorophenyl)sulfanyl-1H-quinolin-4-one
PubChem CID154707665
Molecular FormulaC21H13ClFNOS
Molecular Weight381.86 g/mol
Exact Mass381.04
IUPAC Name2-(4-chlorophenyl)-3-(4-fluorophenyl)sulfanyl-1H-quinolin-4-one
SMILESO=c1c(Sc2ccc(F)cc2)c(-c2ccc(Cl)cc2)[nH]c2ccccc12
InChIInChI=1S/C21H13ClFNOS/c22-14-7-5-13(6-8-14)19-21(26-16-11-9-15(23)10-12-16)20(25)17-3-1-2-4-18(17)24-19/h1-12H,(H,24,25)
InChIKeyHYWRKDSRIVTDOA-UHFFFAOYSA-N
XLogP6.14
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.86
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-(4-fluorophenyl)sulfanyl-1H-quinolin-4-one?
The IUPAC name of 2-(4-chlorophenyl)-3-(4-fluorophenyl)sulfanyl-1H-quinolin-4-one (CID 154707665) is 2-(4-chlorophenyl)-3-(4-fluorophenyl)sulfanyl-1H-quinolin-4-one.
What is the SMILES notation for 2-(4-chlorophenyl)-3-(4-fluorophenyl)sulfanyl-1H-quinolin-4-one?
The canonical SMILES for 2-(4-chlorophenyl)-3-(4-fluorophenyl)sulfanyl-1H-quinolin-4-one is O=c1c(Sc2ccc(F)cc2)c(-c2ccc(Cl)cc2)[nH]c2ccccc12.
What is the InChIKey of 2-(4-chlorophenyl)-3-(4-fluorophenyl)sulfanyl-1H-quinolin-4-one?
The InChIKey is HYWRKDSRIVTDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13ClFNOS/c22-14-7-5-13(6-8-14)19-21(26-16-11-9-15(23)10-12-16)20(25)17-3-1-2-4-18(17)24-19/h1-12H,(H,24,25).
What are the key properties of 2-(4-chlorophenyl)-3-(4-fluorophenyl)sulfanyl-1H-quinolin-4-one?
2-(4-chlorophenyl)-3-(4-fluorophenyl)sulfanyl-1H-quinolin-4-one has a molecular weight of 381.86 g/mol, XLogP of 6.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-(4-fluorophenyl)sulfanyl-1H-quinolin-4-one is sourced from PubChem (CID 154707665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).