6-methyl-2-(2-thiophen-2-ylethynyl)-7,8-dihydro-1,6-naphthyridin-5-one

C15H12N2OS — CID 54583563

IUPAC6-methyl-2-(2-thiophen-2-ylethynyl)-7,8-dihydro-1,6-naphthyridin-5-one
SMILESCN1CCc2nc(C#Cc3cccs3)ccc2C1=O
InChIInChI=1S/C15H12N2OS/c1-17-9-8-14-13(15(17)18)7-5-11(16-14)4-6-12-3-2-10-19-12/h2-3,5,7,10H,8-9H2,1H3
InChIKeyAJDOCVSDQVAAMU-UHFFFAOYSA-N
MW268.34 g/mol
LogP2.17
Rot. Bonds

About 6-methyl-2-(2-thiophen-2-ylethynyl)-7,8-dihydro-1,6-naphthyridin-5-one

6-methyl-2-(2-thiophen-2-ylethynyl)-7,8-dihydro-1,6-naphthyridin-5-one (PubChem CID 54583563) has the molecular formula C15H12N2OS and a molecular weight of 268.34 g/mol. Its IUPAC name is 6-methyl-2-(2-thiophen-2-ylethynyl)-7,8-dihydro-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name6-methyl-2-(2-thiophen-2-ylethynyl)-7,8-dihydro-1,6-naphthyridin-5-one
PubChem CID54583563
Molecular FormulaC15H12N2OS
Molecular Weight268.34 g/mol
Exact Mass268.07
IUPAC Name6-methyl-2-(2-thiophen-2-ylethynyl)-7,8-dihydro-1,6-naphthyridin-5-one
SMILESCN1CCc2nc(C#Cc3cccs3)ccc2C1=O
InChIInChI=1S/C15H12N2OS/c1-17-9-8-14-13(15(17)18)7-5-11(16-14)4-6-12-3-2-10-19-12/h2-3,5,7,10H,8-9H2,1H3
InChIKeyAJDOCVSDQVAAMU-UHFFFAOYSA-N
XLogP2.17
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(2-thiophen-2-ylethynyl)-7,8-dihydro-1,6-naphthyridin-5-one?
The IUPAC name of 6-methyl-2-(2-thiophen-2-ylethynyl)-7,8-dihydro-1,6-naphthyridin-5-one (CID 54583563) is 6-methyl-2-(2-thiophen-2-ylethynyl)-7,8-dihydro-1,6-naphthyridin-5-one.
What is the SMILES notation for 6-methyl-2-(2-thiophen-2-ylethynyl)-7,8-dihydro-1,6-naphthyridin-5-one?
The canonical SMILES for 6-methyl-2-(2-thiophen-2-ylethynyl)-7,8-dihydro-1,6-naphthyridin-5-one is CN1CCc2nc(C#Cc3cccs3)ccc2C1=O.
What is the InChIKey of 6-methyl-2-(2-thiophen-2-ylethynyl)-7,8-dihydro-1,6-naphthyridin-5-one?
The InChIKey is AJDOCVSDQVAAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2OS/c1-17-9-8-14-13(15(17)18)7-5-11(16-14)4-6-12-3-2-10-19-12/h2-3,5,7,10H,8-9H2,1H3.
What are the key properties of 6-methyl-2-(2-thiophen-2-ylethynyl)-7,8-dihydro-1,6-naphthyridin-5-one?
6-methyl-2-(2-thiophen-2-ylethynyl)-7,8-dihydro-1,6-naphthyridin-5-one has a molecular weight of 268.34 g/mol, XLogP of 2.17, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(2-thiophen-2-ylethynyl)-7,8-dihydro-1,6-naphthyridin-5-one is sourced from PubChem (CID 54583563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).