3-methyl-4-phenyl-2-thiophen-2-ylquinoline

C20H15NS — CID 5127554

IUPAC3-methyl-4-phenyl-2-thiophen-2-ylquinoline
SMILESCc1c(-c2cccs2)nc2ccccc2c1-c1ccccc1
InChIInChI=1S/C20H15NS/c1-14-19(15-8-3-2-4-9-15)16-10-5-6-11-17(16)21-20(14)18-12-7-13-22-18/h2-13H,1H3
InChIKeyYTEAFUOBPWWJMU-UHFFFAOYSA-N
MW301.41 g/mol
LogP5.94
Rot. Bonds2

About 3-methyl-4-phenyl-2-thiophen-2-ylquinoline

3-methyl-4-phenyl-2-thiophen-2-ylquinoline (PubChem CID 5127554) has the molecular formula C20H15NS and a molecular weight of 301.41 g/mol. Its IUPAC name is 3-methyl-4-phenyl-2-thiophen-2-ylquinoline.

Molecular Properties

Compound Name3-methyl-4-phenyl-2-thiophen-2-ylquinoline
PubChem CID5127554
Molecular FormulaC20H15NS
Molecular Weight301.41 g/mol
Exact Mass301.09
IUPAC Name3-methyl-4-phenyl-2-thiophen-2-ylquinoline
SMILESCc1c(-c2cccs2)nc2ccccc2c1-c1ccccc1
InChIInChI=1S/C20H15NS/c1-14-19(15-8-3-2-4-9-15)16-10-5-6-11-17(16)21-20(14)18-12-7-13-22-18/h2-13H,1H3
InChIKeyYTEAFUOBPWWJMU-UHFFFAOYSA-N
XLogP5.94
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.41
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-phenyl-2-thiophen-2-ylquinoline?
The IUPAC name of 3-methyl-4-phenyl-2-thiophen-2-ylquinoline (CID 5127554) is 3-methyl-4-phenyl-2-thiophen-2-ylquinoline.
What is the SMILES notation for 3-methyl-4-phenyl-2-thiophen-2-ylquinoline?
The canonical SMILES for 3-methyl-4-phenyl-2-thiophen-2-ylquinoline is Cc1c(-c2cccs2)nc2ccccc2c1-c1ccccc1.
What is the InChIKey of 3-methyl-4-phenyl-2-thiophen-2-ylquinoline?
The InChIKey is YTEAFUOBPWWJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NS/c1-14-19(15-8-3-2-4-9-15)16-10-5-6-11-17(16)21-20(14)18-12-7-13-22-18/h2-13H,1H3.
What are the key properties of 3-methyl-4-phenyl-2-thiophen-2-ylquinoline?
3-methyl-4-phenyl-2-thiophen-2-ylquinoline has a molecular weight of 301.41 g/mol, XLogP of 5.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-phenyl-2-thiophen-2-ylquinoline is sourced from PubChem (CID 5127554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).