2-[(E)-2-(3-methylthiophen-2-yl)ethenyl]quinoline

C16H13NS — CID 6056275

IUPAC2-[(E)-2-(3-methylthiophen-2-yl)ethenyl]quinoline
SMILESCc1ccsc1/C=C/c1ccc2ccccc2n1
InChIInChI=1S/C16H13NS/c1-12-10-11-18-16(12)9-8-14-7-6-13-4-2-3-5-15(13)17-14/h2-11H,1H3/b9-8+
InChIKeyTZZRBHONFLVZSC-CMDGGOBGSA-N
MW251.35 g/mol
LogP4.78
Rot. Bonds2

About 2-[(E)-2-(3-methylthiophen-2-yl)ethenyl]quinoline

2-[(E)-2-(3-methylthiophen-2-yl)ethenyl]quinoline (PubChem CID 6056275) has the molecular formula C16H13NS and a molecular weight of 251.35 g/mol. Its IUPAC name is 2-[(E)-2-(3-methylthiophen-2-yl)ethenyl]quinoline.

Molecular Properties

Compound Name2-[(E)-2-(3-methylthiophen-2-yl)ethenyl]quinoline
PubChem CID6056275
Molecular FormulaC16H13NS
Molecular Weight251.35 g/mol
Exact Mass251.08
IUPAC Name2-[(E)-2-(3-methylthiophen-2-yl)ethenyl]quinoline
SMILESCc1ccsc1/C=C/c1ccc2ccccc2n1
InChIInChI=1S/C16H13NS/c1-12-10-11-18-16(12)9-8-14-7-6-13-4-2-3-5-15(13)17-14/h2-11H,1H3/b9-8+
InChIKeyTZZRBHONFLVZSC-CMDGGOBGSA-N
XLogP4.78
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[(E)-2-(3-methylthiophen-2-yl)ethenyl]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(3-methylthiophen-2-yl)ethenyl]quinoline?
The IUPAC name of 2-[(E)-2-(3-methylthiophen-2-yl)ethenyl]quinoline (CID 6056275) is 2-[(E)-2-(3-methylthiophen-2-yl)ethenyl]quinoline.
What is the SMILES notation for 2-[(E)-2-(3-methylthiophen-2-yl)ethenyl]quinoline?
The canonical SMILES for 2-[(E)-2-(3-methylthiophen-2-yl)ethenyl]quinoline is Cc1ccsc1/C=C/c1ccc2ccccc2n1.
What is the InChIKey of 2-[(E)-2-(3-methylthiophen-2-yl)ethenyl]quinoline?
The InChIKey is TZZRBHONFLVZSC-CMDGGOBGSA-N. The full InChI is InChI=1S/C16H13NS/c1-12-10-11-18-16(12)9-8-14-7-6-13-4-2-3-5-15(13)17-14/h2-11H,1H3/b9-8+.
What are the key properties of 2-[(E)-2-(3-methylthiophen-2-yl)ethenyl]quinoline?
2-[(E)-2-(3-methylthiophen-2-yl)ethenyl]quinoline has a molecular weight of 251.35 g/mol, XLogP of 4.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(3-methylthiophen-2-yl)ethenyl]quinoline is sourced from PubChem (CID 6056275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).