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

C19H16ClFN2O2S — CID 15994405

IUPAC2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-[(4-fluorophenyl)methyl]acetamide
SMILESCn1c(=O)cc(SCC(=O)NCc2ccc(F)cc2)c2ccc(Cl)cc21
InChIInChI=1S/C19H16ClFN2O2S/c1-23-16-8-13(20)4-7-15(16)17(9-19(23)25)26-11-18(24)22-10-12-2-5-14(21)6-3-12/h2-9H,10-11H2,1H3,(H,22,24)
InChIKeyBSHDPXYHGIDMDA-UHFFFAOYSA-N
MW390.87 g/mol
LogP3.74
Rot. Bonds5

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

2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 15994405) has the molecular formula C19H16ClFN2O2S and a molecular weight of 390.87 g/mol. Its IUPAC name is 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID15994405
Molecular FormulaC19H16ClFN2O2S
Molecular Weight390.87 g/mol
Exact Mass390.06
IUPAC Name2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-[(4-fluorophenyl)methyl]acetamide
SMILESCn1c(=O)cc(SCC(=O)NCc2ccc(F)cc2)c2ccc(Cl)cc21
InChIInChI=1S/C19H16ClFN2O2S/c1-23-16-8-13(20)4-7-15(16)17(9-19(23)25)26-11-18(24)22-10-12-2-5-14(21)6-3-12/h2-9H,10-11H2,1H3,(H,22,24)
InChIKeyBSHDPXYHGIDMDA-UHFFFAOYSA-N
XLogP3.74
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 53.74
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)methyl]acetamide?
The IUPAC name of 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-[(4-fluorophenyl)methyl]acetamide (CID 15994405) is 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-[(4-fluorophenyl)methyl]acetamide is Cn1c(=O)cc(SCC(=O)NCc2ccc(F)cc2)c2ccc(Cl)cc21.
What is the InChIKey of 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is BSHDPXYHGIDMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN2O2S/c1-23-16-8-13(20)4-7-15(16)17(9-19(23)25)26-11-18(24)22-10-12-2-5-14(21)6-3-12/h2-9H,10-11H2,1H3,(H,22,24).
What are the key properties of 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-[(4-fluorophenyl)methyl]acetamide?
2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 390.87 g/mol, XLogP of 3.74, 5 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)methyl]acetamide is sourced from PubChem (CID 15994405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).