8-methyl-2-oxo-4-thiophen-2-yl-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile

C15H14N2OS — CID 123552257

IUPAC8-methyl-2-oxo-4-thiophen-2-yl-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
SMILESCC1CCCc2c1[nH]c(=O)c(C#N)c2-c1cccs1
InChIInChI=1S/C15H14N2OS/c1-9-4-2-5-10-13(12-6-3-7-19-12)11(8-16)15(18)17-14(9)10/h3,6-7,9H,2,4-5H2,1H3,(H,17,18)
InChIKeyYENXYNYFWXDLNK-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.41
Rot. Bonds1

About 8-methyl-2-oxo-4-thiophen-2-yl-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile

8-methyl-2-oxo-4-thiophen-2-yl-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile (PubChem CID 123552257) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is 8-methyl-2-oxo-4-thiophen-2-yl-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile.

Molecular Properties

Compound Name8-methyl-2-oxo-4-thiophen-2-yl-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
PubChem CID123552257
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC Name8-methyl-2-oxo-4-thiophen-2-yl-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
SMILESCC1CCCc2c1[nH]c(=O)c(C#N)c2-c1cccs1
InChIInChI=1S/C15H14N2OS/c1-9-4-2-5-10-13(12-6-3-7-19-12)11(8-16)15(18)17-14(9)10/h3,6-7,9H,2,4-5H2,1H3,(H,17,18)
InChIKeyYENXYNYFWXDLNK-UHFFFAOYSA-N
XLogP3.41
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-oxo-4-thiophen-2-yl-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile?
The IUPAC name of 8-methyl-2-oxo-4-thiophen-2-yl-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile (CID 123552257) is 8-methyl-2-oxo-4-thiophen-2-yl-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile.
What is the SMILES notation for 8-methyl-2-oxo-4-thiophen-2-yl-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile?
The canonical SMILES for 8-methyl-2-oxo-4-thiophen-2-yl-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile is CC1CCCc2c1[nH]c(=O)c(C#N)c2-c1cccs1.
What is the InChIKey of 8-methyl-2-oxo-4-thiophen-2-yl-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile?
The InChIKey is YENXYNYFWXDLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c1-9-4-2-5-10-13(12-6-3-7-19-12)11(8-16)15(18)17-14(9)10/h3,6-7,9H,2,4-5H2,1H3,(H,17,18).
What are the key properties of 8-methyl-2-oxo-4-thiophen-2-yl-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile?
8-methyl-2-oxo-4-thiophen-2-yl-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile has a molecular weight of 270.36 g/mol, XLogP of 3.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-oxo-4-thiophen-2-yl-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile is sourced from PubChem (CID 123552257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).