8-bromo-2-(5-methylthiophen-3-yl)quinoline

C14H10BrNS — CID 71223808

IUPAC8-bromo-2-(5-methylthiophen-3-yl)quinoline
SMILESCc1cc(-c2ccc3cccc(Br)c3n2)cs1
InChIInChI=1S/C14H10BrNS/c1-9-7-11(8-17-9)13-6-5-10-3-2-4-12(15)14(10)16-13/h2-8H,1H3
InChIKeyAOJXBYVVAXXUMR-UHFFFAOYSA-N
MW304.21 g/mol
LogP5.03
Rot. Bonds1

About 8-bromo-2-(5-methylthiophen-3-yl)quinoline

8-bromo-2-(5-methylthiophen-3-yl)quinoline (PubChem CID 71223808) has the molecular formula C14H10BrNS and a molecular weight of 304.21 g/mol. Its IUPAC name is 8-bromo-2-(5-methylthiophen-3-yl)quinoline.

Molecular Properties

Compound Name8-bromo-2-(5-methylthiophen-3-yl)quinoline
PubChem CID71223808
Molecular FormulaC14H10BrNS
Molecular Weight304.21 g/mol
Exact Mass302.97
IUPAC Name8-bromo-2-(5-methylthiophen-3-yl)quinoline
SMILESCc1cc(-c2ccc3cccc(Br)c3n2)cs1
InChIInChI=1S/C14H10BrNS/c1-9-7-11(8-17-9)13-6-5-10-3-2-4-12(15)14(10)16-13/h2-8H,1H3
InChIKeyAOJXBYVVAXXUMR-UHFFFAOYSA-N
XLogP5.03
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.21
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-(5-methylthiophen-3-yl)quinoline?
The IUPAC name of 8-bromo-2-(5-methylthiophen-3-yl)quinoline (CID 71223808) is 8-bromo-2-(5-methylthiophen-3-yl)quinoline.
What is the SMILES notation for 8-bromo-2-(5-methylthiophen-3-yl)quinoline?
The canonical SMILES for 8-bromo-2-(5-methylthiophen-3-yl)quinoline is Cc1cc(-c2ccc3cccc(Br)c3n2)cs1.
What is the InChIKey of 8-bromo-2-(5-methylthiophen-3-yl)quinoline?
The InChIKey is AOJXBYVVAXXUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrNS/c1-9-7-11(8-17-9)13-6-5-10-3-2-4-12(15)14(10)16-13/h2-8H,1H3.
What are the key properties of 8-bromo-2-(5-methylthiophen-3-yl)quinoline?
8-bromo-2-(5-methylthiophen-3-yl)quinoline has a molecular weight of 304.21 g/mol, XLogP of 5.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2-(5-methylthiophen-3-yl)quinoline is sourced from PubChem (CID 71223808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).