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

C20H20N2OS — CID 54584583

IUPAC6-cyclohexyl-2-(2-thiophen-2-ylethynyl)-7,8-dihydro-1,6-naphthyridin-5-one
SMILESO=C1c2ccc(C#Cc3cccs3)nc2CCN1C1CCCCC1
InChIInChI=1S/C20H20N2OS/c23-20-18-11-9-15(8-10-17-7-4-14-24-17)21-19(18)12-13-22(20)16-5-2-1-3-6-16/h4,7,9,11,14,16H,1-3,5-6,12-13H2
InChIKeyJPTHNBRHBCNHOO-UHFFFAOYSA-N
MW336.46 g/mol
LogP3.87
Rot. Bonds1

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

6-cyclohexyl-2-(2-thiophen-2-ylethynyl)-7,8-dihydro-1,6-naphthyridin-5-one (PubChem CID 54584583) has the molecular formula C20H20N2OS and a molecular weight of 336.46 g/mol. Its IUPAC name is 6-cyclohexyl-2-(2-thiophen-2-ylethynyl)-7,8-dihydro-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name6-cyclohexyl-2-(2-thiophen-2-ylethynyl)-7,8-dihydro-1,6-naphthyridin-5-one
PubChem CID54584583
Molecular FormulaC20H20N2OS
Molecular Weight336.46 g/mol
Exact Mass336.13
IUPAC Name6-cyclohexyl-2-(2-thiophen-2-ylethynyl)-7,8-dihydro-1,6-naphthyridin-5-one
SMILESO=C1c2ccc(C#Cc3cccs3)nc2CCN1C1CCCCC1
InChIInChI=1S/C20H20N2OS/c23-20-18-11-9-15(8-10-17-7-4-14-24-17)21-19(18)12-13-22(20)16-5-2-1-3-6-16/h4,7,9,11,14,16H,1-3,5-6,12-13H2
InChIKeyJPTHNBRHBCNHOO-UHFFFAOYSA-N
XLogP3.87
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 53.87
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-cyclohexyl-2-(2-thiophen-2-ylethynyl)-7,8-dihydro-1,6-naphthyridin-5-one?
The IUPAC name of 6-cyclohexyl-2-(2-thiophen-2-ylethynyl)-7,8-dihydro-1,6-naphthyridin-5-one (CID 54584583) is 6-cyclohexyl-2-(2-thiophen-2-ylethynyl)-7,8-dihydro-1,6-naphthyridin-5-one.
What is the SMILES notation for 6-cyclohexyl-2-(2-thiophen-2-ylethynyl)-7,8-dihydro-1,6-naphthyridin-5-one?
The canonical SMILES for 6-cyclohexyl-2-(2-thiophen-2-ylethynyl)-7,8-dihydro-1,6-naphthyridin-5-one is O=C1c2ccc(C#Cc3cccs3)nc2CCN1C1CCCCC1.
What is the InChIKey of 6-cyclohexyl-2-(2-thiophen-2-ylethynyl)-7,8-dihydro-1,6-naphthyridin-5-one?
The InChIKey is JPTHNBRHBCNHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2OS/c23-20-18-11-9-15(8-10-17-7-4-14-24-17)21-19(18)12-13-22(20)16-5-2-1-3-6-16/h4,7,9,11,14,16H,1-3,5-6,12-13H2.
What are the key properties of 6-cyclohexyl-2-(2-thiophen-2-ylethynyl)-7,8-dihydro-1,6-naphthyridin-5-one?
6-cyclohexyl-2-(2-thiophen-2-ylethynyl)-7,8-dihydro-1,6-naphthyridin-5-one has a molecular weight of 336.46 g/mol, XLogP of 3.87, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-2-(2-thiophen-2-ylethynyl)-7,8-dihydro-1,6-naphthyridin-5-one is sourced from PubChem (CID 54584583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).