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

C17H14N2O — CID 54582596

IUPAC6-methyl-2-(2-phenylethynyl)-7,8-dihydro-1,6-naphthyridin-5-one
SMILESCN1CCc2nc(C#Cc3ccccc3)ccc2C1=O
InChIInChI=1S/C17H14N2O/c1-19-12-11-16-15(17(19)20)10-9-14(18-16)8-7-13-5-3-2-4-6-13/h2-6,9-10H,11-12H2,1H3
InChIKeyBSIQTYGSKNJGGV-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.11
Rot. Bonds

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

6-methyl-2-(2-phenylethynyl)-7,8-dihydro-1,6-naphthyridin-5-one (PubChem CID 54582596) has the molecular formula C17H14N2O and a molecular weight of 262.31 g/mol. Its IUPAC name is 6-methyl-2-(2-phenylethynyl)-7,8-dihydro-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name6-methyl-2-(2-phenylethynyl)-7,8-dihydro-1,6-naphthyridin-5-one
PubChem CID54582596
Molecular FormulaC17H14N2O
Molecular Weight262.31 g/mol
Exact Mass262.11
IUPAC Name6-methyl-2-(2-phenylethynyl)-7,8-dihydro-1,6-naphthyridin-5-one
SMILESCN1CCc2nc(C#Cc3ccccc3)ccc2C1=O
InChIInChI=1S/C17H14N2O/c1-19-12-11-16-15(17(19)20)10-9-14(18-16)8-7-13-5-3-2-4-6-13/h2-6,9-10H,11-12H2,1H3
InChIKeyBSIQTYGSKNJGGV-UHFFFAOYSA-N
XLogP2.11
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-phenylethynyl)-7,8-dihydro-1,6-naphthyridin-5-one?
The IUPAC name of 6-methyl-2-(2-phenylethynyl)-7,8-dihydro-1,6-naphthyridin-5-one (CID 54582596) is 6-methyl-2-(2-phenylethynyl)-7,8-dihydro-1,6-naphthyridin-5-one.
What is the SMILES notation for 6-methyl-2-(2-phenylethynyl)-7,8-dihydro-1,6-naphthyridin-5-one?
The canonical SMILES for 6-methyl-2-(2-phenylethynyl)-7,8-dihydro-1,6-naphthyridin-5-one is CN1CCc2nc(C#Cc3ccccc3)ccc2C1=O.
What is the InChIKey of 6-methyl-2-(2-phenylethynyl)-7,8-dihydro-1,6-naphthyridin-5-one?
The InChIKey is BSIQTYGSKNJGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O/c1-19-12-11-16-15(17(19)20)10-9-14(18-16)8-7-13-5-3-2-4-6-13/h2-6,9-10H,11-12H2,1H3.
What are the key properties of 6-methyl-2-(2-phenylethynyl)-7,8-dihydro-1,6-naphthyridin-5-one?
6-methyl-2-(2-phenylethynyl)-7,8-dihydro-1,6-naphthyridin-5-one has a molecular weight of 262.31 g/mol, XLogP of 2.11, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(2-phenylethynyl)-7,8-dihydro-1,6-naphthyridin-5-one is sourced from PubChem (CID 54582596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).