pyridin-2-yl-(2-thiophen-2-ylquinolin-4-yl)methanone

C19H12N2OS — CID 628985

IUPACpyridin-2-yl-(2-thiophen-2-ylquinolin-4-yl)methanone
SMILESO=C(c1ccccn1)c1cc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C19H12N2OS/c22-19(16-8-3-4-10-20-16)14-12-17(18-9-5-11-23-18)21-15-7-2-1-6-13(14)15/h1-12H
InChIKeyLICLAYPEUSCGGC-UHFFFAOYSA-N
MW316.39 g/mol
LogP4.59
Rot. Bonds3

About pyridin-2-yl-(2-thiophen-2-ylquinolin-4-yl)methanone

pyridin-2-yl-(2-thiophen-2-ylquinolin-4-yl)methanone (PubChem CID 628985) has the molecular formula C19H12N2OS and a molecular weight of 316.39 g/mol. Its IUPAC name is pyridin-2-yl-(2-thiophen-2-ylquinolin-4-yl)methanone.

Molecular Properties

Compound Namepyridin-2-yl-(2-thiophen-2-ylquinolin-4-yl)methanone
PubChem CID628985
Molecular FormulaC19H12N2OS
Molecular Weight316.39 g/mol
Exact Mass316.07
IUPAC Namepyridin-2-yl-(2-thiophen-2-ylquinolin-4-yl)methanone
SMILESO=C(c1ccccn1)c1cc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C19H12N2OS/c22-19(16-8-3-4-10-20-16)14-12-17(18-9-5-11-23-18)21-15-7-2-1-6-13(14)15/h1-12H
InChIKeyLICLAYPEUSCGGC-UHFFFAOYSA-N
XLogP4.59
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of pyridin-2-yl-(2-thiophen-2-ylquinolin-4-yl)methanone?
The IUPAC name of pyridin-2-yl-(2-thiophen-2-ylquinolin-4-yl)methanone (CID 628985) is pyridin-2-yl-(2-thiophen-2-ylquinolin-4-yl)methanone.
What is the SMILES notation for pyridin-2-yl-(2-thiophen-2-ylquinolin-4-yl)methanone?
The canonical SMILES for pyridin-2-yl-(2-thiophen-2-ylquinolin-4-yl)methanone is O=C(c1ccccn1)c1cc(-c2cccs2)nc2ccccc12.
What is the InChIKey of pyridin-2-yl-(2-thiophen-2-ylquinolin-4-yl)methanone?
The InChIKey is LICLAYPEUSCGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N2OS/c22-19(16-8-3-4-10-20-16)14-12-17(18-9-5-11-23-18)21-15-7-2-1-6-13(14)15/h1-12H.
What are the key properties of pyridin-2-yl-(2-thiophen-2-ylquinolin-4-yl)methanone?
pyridin-2-yl-(2-thiophen-2-ylquinolin-4-yl)methanone has a molecular weight of 316.39 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-yl-(2-thiophen-2-ylquinolin-4-yl)methanone is sourced from PubChem (CID 628985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).