N-(6-chloroquinolin-8-yl)-2-(2,4-difluorophenyl)sulfanylacetamide

C17H11ClF2N2OS — CID 24673455

IUPACN-(6-chloroquinolin-8-yl)-2-(2,4-difluorophenyl)sulfanylacetamide
SMILESO=C(CSc1ccc(F)cc1F)Nc1cc(Cl)cc2cccnc12
InChIInChI=1S/C17H11ClF2N2OS/c18-11-6-10-2-1-5-21-17(10)14(7-11)22-16(23)9-24-15-4-3-12(19)8-13(15)20/h1-8H,9H2,(H,22,23)
InChIKeyLMSMAIMQOKOJMN-UHFFFAOYSA-N
MW364.80 g/mol
LogP4.90
Rot. Bonds4

About N-(6-chloroquinolin-8-yl)-2-(2,4-difluorophenyl)sulfanylacetamide

N-(6-chloroquinolin-8-yl)-2-(2,4-difluorophenyl)sulfanylacetamide (PubChem CID 24673455) has the molecular formula C17H11ClF2N2OS and a molecular weight of 364.80 g/mol. Its IUPAC name is N-(6-chloroquinolin-8-yl)-2-(2,4-difluorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(6-chloroquinolin-8-yl)-2-(2,4-difluorophenyl)sulfanylacetamide
PubChem CID24673455
Molecular FormulaC17H11ClF2N2OS
Molecular Weight364.80 g/mol
Exact Mass364.02
IUPAC NameN-(6-chloroquinolin-8-yl)-2-(2,4-difluorophenyl)sulfanylacetamide
SMILESO=C(CSc1ccc(F)cc1F)Nc1cc(Cl)cc2cccnc12
InChIInChI=1S/C17H11ClF2N2OS/c18-11-6-10-2-1-5-21-17(10)14(7-11)22-16(23)9-24-15-4-3-12(19)8-13(15)20/h1-8H,9H2,(H,22,23)
InChIKeyLMSMAIMQOKOJMN-UHFFFAOYSA-N
XLogP4.90
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.80
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-chloroquinolin-8-yl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
CID 43052391
N-(6-chloroquinolin-8-yl)-2-(prop-2-ynylamino)acetamide
CID 79286732
N-(6-chloroquinolin-8-yl)-2-(cyclopropylamino)acetamide
CID 60842689
N-(2-aminophenyl)-2-(2,4-difluorophenyl)sulfanylacetamide
CID 43345463
N-(6-chloroquinolin-8-yl)-2-fluorobenzamide
CID 39975947
N-(6-chloroquinolin-8-yl)-5-hydroxypentanamide
CID 79199292
N-(2,4-difluorophenyl)-N'-quinolin-8-ylpropanediamide
CID 108956736
2-chloro-N-(6-chloroquinolin-8-yl)propanamide
CID 43696479
N-(6-chloroquinolin-8-yl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 24673464
N-(3-acetamido-2-methylphenyl)-2-(2,4-difluorophenyl)sulfanylacetamide
CID 24673641
2-(1-aminocyclopentyl)-N-(6-chloroquinolin-8-yl)acetamide
CID 64685201
N-(2,4-difluorophenyl)-2-naphthalen-1-ylsulfanylacetamide
CID 39922404

Frequently Asked Questions

What is the IUPAC name of N-(6-chloroquinolin-8-yl)-2-(2,4-difluorophenyl)sulfanylacetamide?
The IUPAC name of N-(6-chloroquinolin-8-yl)-2-(2,4-difluorophenyl)sulfanylacetamide (CID 24673455) is N-(6-chloroquinolin-8-yl)-2-(2,4-difluorophenyl)sulfanylacetamide.
What is the SMILES notation for N-(6-chloroquinolin-8-yl)-2-(2,4-difluorophenyl)sulfanylacetamide?
The canonical SMILES for N-(6-chloroquinolin-8-yl)-2-(2,4-difluorophenyl)sulfanylacetamide is O=C(CSc1ccc(F)cc1F)Nc1cc(Cl)cc2cccnc12.
What is the InChIKey of N-(6-chloroquinolin-8-yl)-2-(2,4-difluorophenyl)sulfanylacetamide?
The InChIKey is LMSMAIMQOKOJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF2N2OS/c18-11-6-10-2-1-5-21-17(10)14(7-11)22-16(23)9-24-15-4-3-12(19)8-13(15)20/h1-8H,9H2,(H,22,23).
What are the key properties of N-(6-chloroquinolin-8-yl)-2-(2,4-difluorophenyl)sulfanylacetamide?
N-(6-chloroquinolin-8-yl)-2-(2,4-difluorophenyl)sulfanylacetamide has a molecular weight of 364.80 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloroquinolin-8-yl)-2-(2,4-difluorophenyl)sulfanylacetamide is sourced from PubChem (CID 24673455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).