2-[(E)-2-(5-methylthiophen-2-yl)ethenyl]quinolin-8-ol

C16H13NOS — CID 6213405

IUPAC2-[(E)-2-(5-methylthiophen-2-yl)ethenyl]quinolin-8-ol
SMILESCc1ccc(/C=C/c2ccc3cccc(O)c3n2)s1
InChIInChI=1S/C16H13NOS/c1-11-5-9-14(19-11)10-8-13-7-6-12-3-2-4-15(18)16(12)17-13/h2-10,18H,1H3/b10-8+
InChIKeyICAOPQCHTJAXAM-CSKARUKUSA-N
MW267.35 g/mol
LogP4.48
Rot. Bonds2

About 2-[(E)-2-(5-methylthiophen-2-yl)ethenyl]quinolin-8-ol

2-[(E)-2-(5-methylthiophen-2-yl)ethenyl]quinolin-8-ol (PubChem CID 6213405) has the molecular formula C16H13NOS and a molecular weight of 267.35 g/mol. Its IUPAC name is 2-[(E)-2-(5-methylthiophen-2-yl)ethenyl]quinolin-8-ol.

Molecular Properties

Compound Name2-[(E)-2-(5-methylthiophen-2-yl)ethenyl]quinolin-8-ol
PubChem CID6213405
Molecular FormulaC16H13NOS
Molecular Weight267.35 g/mol
Exact Mass267.07
IUPAC Name2-[(E)-2-(5-methylthiophen-2-yl)ethenyl]quinolin-8-ol
SMILESCc1ccc(/C=C/c2ccc3cccc(O)c3n2)s1
InChIInChI=1S/C16H13NOS/c1-11-5-9-14(19-11)10-8-13-7-6-12-3-2-4-15(18)16(12)17-13/h2-10,18H,1H3/b10-8+
InChIKeyICAOPQCHTJAXAM-CSKARUKUSA-N
XLogP4.48
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(5-methylthiophen-2-yl)ethenyl]quinolin-8-ol?
The IUPAC name of 2-[(E)-2-(5-methylthiophen-2-yl)ethenyl]quinolin-8-ol (CID 6213405) is 2-[(E)-2-(5-methylthiophen-2-yl)ethenyl]quinolin-8-ol.
What is the SMILES notation for 2-[(E)-2-(5-methylthiophen-2-yl)ethenyl]quinolin-8-ol?
The canonical SMILES for 2-[(E)-2-(5-methylthiophen-2-yl)ethenyl]quinolin-8-ol is Cc1ccc(/C=C/c2ccc3cccc(O)c3n2)s1.
What is the InChIKey of 2-[(E)-2-(5-methylthiophen-2-yl)ethenyl]quinolin-8-ol?
The InChIKey is ICAOPQCHTJAXAM-CSKARUKUSA-N. The full InChI is InChI=1S/C16H13NOS/c1-11-5-9-14(19-11)10-8-13-7-6-12-3-2-4-15(18)16(12)17-13/h2-10,18H,1H3/b10-8+.
What are the key properties of 2-[(E)-2-(5-methylthiophen-2-yl)ethenyl]quinolin-8-ol?
2-[(E)-2-(5-methylthiophen-2-yl)ethenyl]quinolin-8-ol has a molecular weight of 267.35 g/mol, XLogP of 4.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(5-methylthiophen-2-yl)ethenyl]quinolin-8-ol is sourced from PubChem (CID 6213405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).