1-phenyl-2-quinolin-2-ylsulfanylethanone;hydrobromide

C17H14BrNOS — CID 3077592

IUPAC1-phenyl-2-quinolin-2-ylsulfanylethanone;hydrobromide
SMILESBr.O=C(CSc1ccc2ccccc2n1)c1ccccc1
InChIInChI=1S/C17H13NOS.BrH/c19-16(14-7-2-1-3-8-14)12-20-17-11-10-13-6-4-5-9-15(13)18-17;/h1-11H,12H2;1H
InChIKeyWSQGAZCFINKEQL-UHFFFAOYSA-N
MW360.28 g/mol
LogP4.79
Rot. Bonds4

About 1-phenyl-2-quinolin-2-ylsulfanylethanone;hydrobromide

1-phenyl-2-quinolin-2-ylsulfanylethanone;hydrobromide (PubChem CID 3077592) has the molecular formula C17H14BrNOS and a molecular weight of 360.28 g/mol. Its IUPAC name is 1-phenyl-2-quinolin-2-ylsulfanylethanone;hydrobromide.

Molecular Properties

Compound Name1-phenyl-2-quinolin-2-ylsulfanylethanone;hydrobromide
PubChem CID3077592
Molecular FormulaC17H14BrNOS
Molecular Weight360.28 g/mol
Exact Mass359.00
IUPAC Name1-phenyl-2-quinolin-2-ylsulfanylethanone;hydrobromide
SMILESBr.O=C(CSc1ccc2ccccc2n1)c1ccccc1
InChIInChI=1S/C17H13NOS.BrH/c19-16(14-7-2-1-3-8-14)12-20-17-11-10-13-6-4-5-9-15(13)18-17;/h1-11H,12H2;1H
InChIKeyWSQGAZCFINKEQL-UHFFFAOYSA-N
XLogP4.79
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.28
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-quinolin-2-ylsulfanylethanone;hydrobromide?
The IUPAC name of 1-phenyl-2-quinolin-2-ylsulfanylethanone;hydrobromide (CID 3077592) is 1-phenyl-2-quinolin-2-ylsulfanylethanone;hydrobromide.
What is the SMILES notation for 1-phenyl-2-quinolin-2-ylsulfanylethanone;hydrobromide?
The canonical SMILES for 1-phenyl-2-quinolin-2-ylsulfanylethanone;hydrobromide is Br.O=C(CSc1ccc2ccccc2n1)c1ccccc1.
What is the InChIKey of 1-phenyl-2-quinolin-2-ylsulfanylethanone;hydrobromide?
The InChIKey is WSQGAZCFINKEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NOS.BrH/c19-16(14-7-2-1-3-8-14)12-20-17-11-10-13-6-4-5-9-15(13)18-17;/h1-11H,12H2;1H.
What are the key properties of 1-phenyl-2-quinolin-2-ylsulfanylethanone;hydrobromide?
1-phenyl-2-quinolin-2-ylsulfanylethanone;hydrobromide has a molecular weight of 360.28 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-quinolin-2-ylsulfanylethanone;hydrobromide is sourced from PubChem (CID 3077592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).