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

C19H18N2OS — CID 54580600

IUPAC6-cyclopentyl-2-(2-thiophen-2-ylethynyl)-7,8-dihydro-1,6-naphthyridin-5-one
SMILESO=C1c2ccc(C#Cc3cccs3)nc2CCN1C1CCCC1
InChIInChI=1S/C19H18N2OS/c22-19-17-10-8-14(7-9-16-6-3-13-23-16)20-18(17)11-12-21(19)15-4-1-2-5-15/h3,6,8,10,13,15H,1-2,4-5,11-12H2
InChIKeySICBNSXYDXXPGG-UHFFFAOYSA-N
MW322.43 g/mol
LogP3.48
Rot. Bonds1

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

6-cyclopentyl-2-(2-thiophen-2-ylethynyl)-7,8-dihydro-1,6-naphthyridin-5-one (PubChem CID 54580600) has the molecular formula C19H18N2OS and a molecular weight of 322.43 g/mol. Its IUPAC name is 6-cyclopentyl-2-(2-thiophen-2-ylethynyl)-7,8-dihydro-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name6-cyclopentyl-2-(2-thiophen-2-ylethynyl)-7,8-dihydro-1,6-naphthyridin-5-one
PubChem CID54580600
Molecular FormulaC19H18N2OS
Molecular Weight322.43 g/mol
Exact Mass322.11
IUPAC Name6-cyclopentyl-2-(2-thiophen-2-ylethynyl)-7,8-dihydro-1,6-naphthyridin-5-one
SMILESO=C1c2ccc(C#Cc3cccs3)nc2CCN1C1CCCC1
InChIInChI=1S/C19H18N2OS/c22-19-17-10-8-14(7-9-16-6-3-13-23-16)20-18(17)11-12-21(19)15-4-1-2-5-15/h3,6,8,10,13,15H,1-2,4-5,11-12H2
InChIKeySICBNSXYDXXPGG-UHFFFAOYSA-N
XLogP3.48
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 53.48
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-cyclopentyl-2-(2-thiophen-2-ylethynyl)-7,8-dihydro-1,6-naphthyridin-5-one?
The IUPAC name of 6-cyclopentyl-2-(2-thiophen-2-ylethynyl)-7,8-dihydro-1,6-naphthyridin-5-one (CID 54580600) is 6-cyclopentyl-2-(2-thiophen-2-ylethynyl)-7,8-dihydro-1,6-naphthyridin-5-one.
What is the SMILES notation for 6-cyclopentyl-2-(2-thiophen-2-ylethynyl)-7,8-dihydro-1,6-naphthyridin-5-one?
The canonical SMILES for 6-cyclopentyl-2-(2-thiophen-2-ylethynyl)-7,8-dihydro-1,6-naphthyridin-5-one is O=C1c2ccc(C#Cc3cccs3)nc2CCN1C1CCCC1.
What is the InChIKey of 6-cyclopentyl-2-(2-thiophen-2-ylethynyl)-7,8-dihydro-1,6-naphthyridin-5-one?
The InChIKey is SICBNSXYDXXPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2OS/c22-19-17-10-8-14(7-9-16-6-3-13-23-16)20-18(17)11-12-21(19)15-4-1-2-5-15/h3,6,8,10,13,15H,1-2,4-5,11-12H2.
What are the key properties of 6-cyclopentyl-2-(2-thiophen-2-ylethynyl)-7,8-dihydro-1,6-naphthyridin-5-one?
6-cyclopentyl-2-(2-thiophen-2-ylethynyl)-7,8-dihydro-1,6-naphthyridin-5-one has a molecular weight of 322.43 g/mol, XLogP of 3.48, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyl-2-(2-thiophen-2-ylethynyl)-7,8-dihydro-1,6-naphthyridin-5-one is sourced from PubChem (CID 54580600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).