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

C19H18N2O — CID 54585488

IUPAC2-(2-phenylethynyl)-6-propan-2-yl-7,8-dihydro-1,6-naphthyridin-5-one
SMILESCC(C)N1CCc2nc(C#Cc3ccccc3)ccc2C1=O
InChIInChI=1S/C19H18N2O/c1-14(2)21-13-12-18-17(19(21)22)11-10-16(20-18)9-8-15-6-4-3-5-7-15/h3-7,10-11,14H,12-13H2,1-2H3
InChIKeyYRCLAUUHWJIBCR-UHFFFAOYSA-N
MW290.37 g/mol
LogP2.89
Rot. Bonds1

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

2-(2-phenylethynyl)-6-propan-2-yl-7,8-dihydro-1,6-naphthyridin-5-one (PubChem CID 54585488) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-(2-phenylethynyl)-6-propan-2-yl-7,8-dihydro-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name2-(2-phenylethynyl)-6-propan-2-yl-7,8-dihydro-1,6-naphthyridin-5-one
PubChem CID54585488
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC Name2-(2-phenylethynyl)-6-propan-2-yl-7,8-dihydro-1,6-naphthyridin-5-one
SMILESCC(C)N1CCc2nc(C#Cc3ccccc3)ccc2C1=O
InChIInChI=1S/C19H18N2O/c1-14(2)21-13-12-18-17(19(21)22)11-10-16(20-18)9-8-15-6-4-3-5-7-15/h3-7,10-11,14H,12-13H2,1-2H3
InChIKeyYRCLAUUHWJIBCR-UHFFFAOYSA-N
XLogP2.89
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 52.89
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 2-(2-phenylethynyl)-6-propan-2-yl-7,8-dihydro-1,6-naphthyridin-5-one?
The IUPAC name of 2-(2-phenylethynyl)-6-propan-2-yl-7,8-dihydro-1,6-naphthyridin-5-one (CID 54585488) is 2-(2-phenylethynyl)-6-propan-2-yl-7,8-dihydro-1,6-naphthyridin-5-one.
What is the SMILES notation for 2-(2-phenylethynyl)-6-propan-2-yl-7,8-dihydro-1,6-naphthyridin-5-one?
The canonical SMILES for 2-(2-phenylethynyl)-6-propan-2-yl-7,8-dihydro-1,6-naphthyridin-5-one is CC(C)N1CCc2nc(C#Cc3ccccc3)ccc2C1=O.
What is the InChIKey of 2-(2-phenylethynyl)-6-propan-2-yl-7,8-dihydro-1,6-naphthyridin-5-one?
The InChIKey is YRCLAUUHWJIBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O/c1-14(2)21-13-12-18-17(19(21)22)11-10-16(20-18)9-8-15-6-4-3-5-7-15/h3-7,10-11,14H,12-13H2,1-2H3.
What are the key properties of 2-(2-phenylethynyl)-6-propan-2-yl-7,8-dihydro-1,6-naphthyridin-5-one?
2-(2-phenylethynyl)-6-propan-2-yl-7,8-dihydro-1,6-naphthyridin-5-one has a molecular weight of 290.37 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethynyl)-6-propan-2-yl-7,8-dihydro-1,6-naphthyridin-5-one is sourced from PubChem (CID 54585488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).