2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-(4-fluorophenyl)acetamide

C18H14ClFN2O2S — CID 20856522

IUPAC2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-(4-fluorophenyl)acetamide
SMILESCn1c(=O)cc(SCC(=O)Nc2ccc(F)cc2)c2ccc(Cl)cc21
InChIInChI=1S/C18H14ClFN2O2S/c1-22-15-8-11(19)2-7-14(15)16(9-18(22)24)25-10-17(23)21-13-5-3-12(20)4-6-13/h2-9H,10H2,1H3,(H,21,23)
InChIKeySCIPIUWKMGVIEP-UHFFFAOYSA-N
MW376.84 g/mol
LogP4.06
Rot. Bonds4

About 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-(4-fluorophenyl)acetamide

2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-(4-fluorophenyl)acetamide (PubChem CID 20856522) has the molecular formula C18H14ClFN2O2S and a molecular weight of 376.84 g/mol. Its IUPAC name is 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-(4-fluorophenyl)acetamide
PubChem CID20856522
Molecular FormulaC18H14ClFN2O2S
Molecular Weight376.84 g/mol
Exact Mass376.04
IUPAC Name2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-(4-fluorophenyl)acetamide
SMILESCn1c(=O)cc(SCC(=O)Nc2ccc(F)cc2)c2ccc(Cl)cc21
InChIInChI=1S/C18H14ClFN2O2S/c1-22-15-8-11(19)2-7-14(15)16(9-18(22)24)25-10-17(23)21-13-5-3-12(20)4-6-13/h2-9H,10H2,1H3,(H,21,23)
InChIKeySCIPIUWKMGVIEP-UHFFFAOYSA-N
XLogP4.06
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.84
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-(4-fluorophenyl)acetamide (CID 20856522) is 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-(4-fluorophenyl)acetamide is Cn1c(=O)cc(SCC(=O)Nc2ccc(F)cc2)c2ccc(Cl)cc21.
What is the InChIKey of 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-(4-fluorophenyl)acetamide?
The InChIKey is SCIPIUWKMGVIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN2O2S/c1-22-15-8-11(19)2-7-14(15)16(9-18(22)24)25-10-17(23)21-13-5-3-12(20)4-6-13/h2-9H,10H2,1H3,(H,21,23).
What are the key properties of 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-(4-fluorophenyl)acetamide?
2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-(4-fluorophenyl)acetamide has a molecular weight of 376.84 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 20856522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).