N-(3-chloro-4-methoxyphenyl)-2-[(8-fluoro-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide

C19H16ClFN2O3S — CID 46355691

IUPACN-(3-chloro-4-methoxyphenyl)-2-[(8-fluoro-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide
SMILESCOc1ccc(NC(=O)CSCc2cc(=O)c3cccc(F)c3[nH]2)cc1Cl
InChIInChI=1S/C19H16ClFN2O3S/c1-26-17-6-5-11(7-14(17)20)22-18(25)10-27-9-12-8-16(24)13-3-2-4-15(21)19(13)23-12/h2-8H,9-10H2,1H3,(H,22,25)(H,23,24)
InChIKeyZISQUMUOBOHUCS-UHFFFAOYSA-N
MW406.87 g/mol
LogP4.20
Rot. Bonds6

About N-(3-chloro-4-methoxyphenyl)-2-[(8-fluoro-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide

N-(3-chloro-4-methoxyphenyl)-2-[(8-fluoro-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide (PubChem CID 46355691) has the molecular formula C19H16ClFN2O3S and a molecular weight of 406.87 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-[(8-fluoro-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-[(8-fluoro-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide
PubChem CID46355691
Molecular FormulaC19H16ClFN2O3S
Molecular Weight406.87 g/mol
Exact Mass406.06
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-[(8-fluoro-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide
SMILESCOc1ccc(NC(=O)CSCc2cc(=O)c3cccc(F)c3[nH]2)cc1Cl
InChIInChI=1S/C19H16ClFN2O3S/c1-26-17-6-5-11(7-14(17)20)22-18(25)10-27-9-12-8-16(24)13-3-2-4-15(21)19(13)23-12/h2-8H,9-10H2,1H3,(H,22,25)(H,23,24)
InChIKeyZISQUMUOBOHUCS-UHFFFAOYSA-N
XLogP4.20
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.87
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3-chloro-4-methoxyphenyl)-2-[(8-fluoro-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide with MolForge

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Related Compounds

2-[(8-fluoro-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 46355694
N-(2,5-dimethoxyphenyl)-2-[(8-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide
CID 46355601
N-(3-chloro-4-methoxyphenyl)-2-(4-fluorophenyl)sulfanylacetamide
CID 972558
N-(3-chloro-4-methylphenyl)-2-[(6-methoxy-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide
CID 46355722
N-(3-chloro-4-methoxyphenyl)-N'-(2,6-difluorophenyl)propanediamide
CID 108955436
N-(3-chloro-4-methoxyphenyl)-2-naphthalen-1-ylsulfanylacetamide
CID 39922104
N-(3-chloro-4-methoxyphenyl)-2-(2-hydroxyethylsulfanyl)acetamide
CID 2959650
2-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]sulfanyl-N-(4-propan-2-ylphenyl)acetamide
CID 2978975
2-[(7,8-dimethyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(3-methylphenyl)acetamide
CID 46355439
N-(3-chloro-4-methoxyphenyl)-2-(4-oxoquinolin-1-yl)acetamide
CID 47779782
N-(3-chloro-4-methoxyphenyl)-3-(2-fluorophenyl)sulfanylpropanamide
CID 16567918
N-(3-chloro-4-methoxyphenyl)-2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[(8-fluoro-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[(8-fluoro-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide (CID 46355691) is N-(3-chloro-4-methoxyphenyl)-2-[(8-fluoro-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-[(8-fluoro-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-[(8-fluoro-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide is COc1ccc(NC(=O)CSCc2cc(=O)c3cccc(F)c3[nH]2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-[(8-fluoro-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide?
The InChIKey is ZISQUMUOBOHUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN2O3S/c1-26-17-6-5-11(7-14(17)20)22-18(25)10-27-9-12-8-16(24)13-3-2-4-15(21)19(13)23-12/h2-8H,9-10H2,1H3,(H,22,25)(H,23,24).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-[(8-fluoro-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide?
N-(3-chloro-4-methoxyphenyl)-2-[(8-fluoro-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide has a molecular weight of 406.87 g/mol, XLogP of 4.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-[(8-fluoro-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide is sourced from PubChem (CID 46355691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).