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

C21H20N2O — CID 53248876

IUPAC6-cyclopentyl-2-(2-phenylethynyl)-7,8-dihydro-1,6-naphthyridin-5-one
SMILESO=C1c2ccc(C#Cc3ccccc3)nc2CCN1C1CCCC1
InChIInChI=1S/C21H20N2O/c24-21-19-13-12-17(11-10-16-6-2-1-3-7-16)22-20(19)14-15-23(21)18-8-4-5-9-18/h1-3,6-7,12-13,18H,4-5,8-9,14-15H2
InChIKeyZDQYIJNPNXCKRM-UHFFFAOYSA-N
MW316.40 g/mol
LogP3.42
Rot. Bonds1

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

6-cyclopentyl-2-(2-phenylethynyl)-7,8-dihydro-1,6-naphthyridin-5-one (PubChem CID 53248876) has the molecular formula C21H20N2O and a molecular weight of 316.40 g/mol. Its IUPAC name is 6-cyclopentyl-2-(2-phenylethynyl)-7,8-dihydro-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name6-cyclopentyl-2-(2-phenylethynyl)-7,8-dihydro-1,6-naphthyridin-5-one
PubChem CID53248876
Molecular FormulaC21H20N2O
Molecular Weight316.40 g/mol
Exact Mass316.16
IUPAC Name6-cyclopentyl-2-(2-phenylethynyl)-7,8-dihydro-1,6-naphthyridin-5-one
SMILESO=C1c2ccc(C#Cc3ccccc3)nc2CCN1C1CCCC1
InChIInChI=1S/C21H20N2O/c24-21-19-13-12-17(11-10-16-6-2-1-3-7-16)22-20(19)14-15-23(21)18-8-4-5-9-18/h1-3,6-7,12-13,18H,4-5,8-9,14-15H2
InChIKeyZDQYIJNPNXCKRM-UHFFFAOYSA-N
XLogP3.42
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-cyclopentyl-2-(2-phenylethynyl)-7,8-dihydro-1,6-naphthyridin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyl-2-(2-phenylethynyl)-7,8-dihydro-1,6-naphthyridin-5-one?
The IUPAC name of 6-cyclopentyl-2-(2-phenylethynyl)-7,8-dihydro-1,6-naphthyridin-5-one (CID 53248876) is 6-cyclopentyl-2-(2-phenylethynyl)-7,8-dihydro-1,6-naphthyridin-5-one.
What is the SMILES notation for 6-cyclopentyl-2-(2-phenylethynyl)-7,8-dihydro-1,6-naphthyridin-5-one?
The canonical SMILES for 6-cyclopentyl-2-(2-phenylethynyl)-7,8-dihydro-1,6-naphthyridin-5-one is O=C1c2ccc(C#Cc3ccccc3)nc2CCN1C1CCCC1.
What is the InChIKey of 6-cyclopentyl-2-(2-phenylethynyl)-7,8-dihydro-1,6-naphthyridin-5-one?
The InChIKey is ZDQYIJNPNXCKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O/c24-21-19-13-12-17(11-10-16-6-2-1-3-7-16)22-20(19)14-15-23(21)18-8-4-5-9-18/h1-3,6-7,12-13,18H,4-5,8-9,14-15H2.
What are the key properties of 6-cyclopentyl-2-(2-phenylethynyl)-7,8-dihydro-1,6-naphthyridin-5-one?
6-cyclopentyl-2-(2-phenylethynyl)-7,8-dihydro-1,6-naphthyridin-5-one has a molecular weight of 316.40 g/mol, XLogP of 3.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyl-2-(2-phenylethynyl)-7,8-dihydro-1,6-naphthyridin-5-one is sourced from PubChem (CID 53248876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).