2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-(3-fluoro-4-methylphenyl)acetamide

C19H16ClFN2O2S — CID 20856524

IUPAC2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-(3-fluoro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSc2cc(=O)n(C)c3cc(Cl)ccc23)cc1F
InChIInChI=1S/C19H16ClFN2O2S/c1-11-3-5-13(8-15(11)21)22-18(24)10-26-17-9-19(25)23(2)16-7-12(20)4-6-14(16)17/h3-9H,10H2,1-2H3,(H,22,24)
InChIKeyJIWYQRYYNSMJPX-UHFFFAOYSA-N
MW390.87 g/mol
LogP4.37
Rot. Bonds4

About 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-(3-fluoro-4-methylphenyl)acetamide

2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-(3-fluoro-4-methylphenyl)acetamide (PubChem CID 20856524) 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-(3-fluoro-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-(3-fluoro-4-methylphenyl)acetamide
PubChem CID20856524
Molecular FormulaC19H16ClFN2O2S
Molecular Weight390.87 g/mol
Exact Mass390.06
IUPAC Name2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-(3-fluoro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSc2cc(=O)n(C)c3cc(Cl)ccc23)cc1F
InChIInChI=1S/C19H16ClFN2O2S/c1-11-3-5-13(8-15(11)21)22-18(24)10-26-17-9-19(25)23(2)16-7-12(20)4-6-14(16)17/h3-9H,10H2,1-2H3,(H,22,24)
InChIKeyJIWYQRYYNSMJPX-UHFFFAOYSA-N
XLogP4.37
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 54.37
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-(3-fluoro-4-methylphenyl)acetamide?
The IUPAC name of 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-(3-fluoro-4-methylphenyl)acetamide (CID 20856524) is 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-(3-fluoro-4-methylphenyl)acetamide.
What is the SMILES notation for 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-(3-fluoro-4-methylphenyl)acetamide?
The canonical SMILES for 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-(3-fluoro-4-methylphenyl)acetamide is Cc1ccc(NC(=O)CSc2cc(=O)n(C)c3cc(Cl)ccc23)cc1F.
What is the InChIKey of 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-(3-fluoro-4-methylphenyl)acetamide?
The InChIKey is JIWYQRYYNSMJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN2O2S/c1-11-3-5-13(8-15(11)21)22-18(24)10-26-17-9-19(25)23(2)16-7-12(20)4-6-14(16)17/h3-9H,10H2,1-2H3,(H,22,24).
What are the key properties of 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-(3-fluoro-4-methylphenyl)acetamide?
2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-(3-fluoro-4-methylphenyl)acetamide has a molecular weight of 390.87 g/mol, XLogP of 4.37, 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-(3-fluoro-4-methylphenyl)acetamide is sourced from PubChem (CID 20856524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).