N-(4-bromophenyl)-2-quinolin-8-ylsulfanylacetamide

C17H13BrN2OS — CID 1317237

IUPACN-(4-bromophenyl)-2-quinolin-8-ylsulfanylacetamide
SMILESO=C(CSc1cccc2cccnc12)Nc1ccc(Br)cc1
InChIInChI=1S/C17H13BrN2OS/c18-13-6-8-14(9-7-13)20-16(21)11-22-15-5-1-3-12-4-2-10-19-17(12)15/h1-10H,11H2,(H,20,21)
InChIKeyBVUAYJPJNWOHIR-UHFFFAOYSA-N
MW373.28 g/mol
LogP4.73
Rot. Bonds4

About N-(4-bromophenyl)-2-quinolin-8-ylsulfanylacetamide

N-(4-bromophenyl)-2-quinolin-8-ylsulfanylacetamide (PubChem CID 1317237) has the molecular formula C17H13BrN2OS and a molecular weight of 373.28 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-quinolin-8-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-quinolin-8-ylsulfanylacetamide
PubChem CID1317237
Molecular FormulaC17H13BrN2OS
Molecular Weight373.28 g/mol
Exact Mass371.99
IUPAC NameN-(4-bromophenyl)-2-quinolin-8-ylsulfanylacetamide
SMILESO=C(CSc1cccc2cccnc12)Nc1ccc(Br)cc1
InChIInChI=1S/C17H13BrN2OS/c18-13-6-8-14(9-7-13)20-16(21)11-22-15-5-1-3-12-4-2-10-19-17(12)15/h1-10H,11H2,(H,20,21)
InChIKeyBVUAYJPJNWOHIR-UHFFFAOYSA-N
XLogP4.73
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.28
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-Pyrrolidinyl)-2-(8-quinolinylthio)ethanone
CID 975656
N-[(E)-(4-fluorophenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide
CID 6880766
N-(2,4-dimethylphenyl)-2-(quinolin-8-ylsulfanyl)acetamide
CID 877413
S-quinolin-8-yl 2-bromobenzenecarbothioate
CID 1266032
N-(2-fluorophenyl)-2-quinolin-8-ylsulfanylacetamide
CID 600113
2-(Quinolin-8-ylsulfanyl)acetohydrazide
CID 783120
6-bromo-N-[2-(methylthio)phenyl]-2-(3-pyridinyl)-4-quinolinecarboxamide
CID 1261749
N-[3-(dimethylsulfamoyl)phenyl]-2-quinolin-8-ylsulfanylacetamide
CID 3475954
(Z)-quinolin-8-yl N'-(4-bromophenyl)-2-oxopropanehydrazonothioate
CID 6323614
N-(3-pyridylmethyleneamino)-2-(8-quinolylthio)acetamide
CID 6882265
2-(Quinolin-8-ylsulfanyl)-N-m-tolyl-acetamide
CID 764201
N-(2,3-dimethylphenyl)-2-quinolin-8-ylsulfanylacetamide
CID 776900

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-quinolin-8-ylsulfanylacetamide?
The IUPAC name of N-(4-bromophenyl)-2-quinolin-8-ylsulfanylacetamide (CID 1317237) is N-(4-bromophenyl)-2-quinolin-8-ylsulfanylacetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-quinolin-8-ylsulfanylacetamide?
The canonical SMILES for N-(4-bromophenyl)-2-quinolin-8-ylsulfanylacetamide is O=C(CSc1cccc2cccnc12)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-quinolin-8-ylsulfanylacetamide?
The InChIKey is BVUAYJPJNWOHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN2OS/c18-13-6-8-14(9-7-13)20-16(21)11-22-15-5-1-3-12-4-2-10-19-17(12)15/h1-10H,11H2,(H,20,21).
What are the key properties of N-(4-bromophenyl)-2-quinolin-8-ylsulfanylacetamide?
N-(4-bromophenyl)-2-quinolin-8-ylsulfanylacetamide has a molecular weight of 373.28 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-quinolin-8-ylsulfanylacetamide is sourced from PubChem (CID 1317237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).