2-naphthalen-2-ylphthalazin-1-one

C18H12N2O — CID 730347

IUPAC2-naphthalen-2-ylphthalazin-1-one
SMILESO=c1c2ccccc2cnn1-c1ccc2ccccc2c1
InChIInChI=1S/C18H12N2O/c21-18-17-8-4-3-7-15(17)12-19-20(18)16-10-9-13-5-1-2-6-14(13)11-16/h1-12H
InChIKeyFSLCVBMZDHZDKO-UHFFFAOYSA-N
MW272.31 g/mol
LogP3.54
Rot. Bonds1

About 2-naphthalen-2-ylphthalazin-1-one

2-naphthalen-2-ylphthalazin-1-one (PubChem CID 730347) has the molecular formula C18H12N2O and a molecular weight of 272.31 g/mol. Its IUPAC name is 2-naphthalen-2-ylphthalazin-1-one.

Molecular Properties

Compound Name2-naphthalen-2-ylphthalazin-1-one
PubChem CID730347
Molecular FormulaC18H12N2O
Molecular Weight272.31 g/mol
Exact Mass272.09
IUPAC Name2-naphthalen-2-ylphthalazin-1-one
SMILESO=c1c2ccccc2cnn1-c1ccc2ccccc2c1
InChIInChI=1S/C18H12N2O/c21-18-17-8-4-3-7-15(17)12-19-20(18)16-10-9-13-5-1-2-6-14(13)11-16/h1-12H
InChIKeyFSLCVBMZDHZDKO-UHFFFAOYSA-N
XLogP3.54
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-ylphthalazin-1-one?
The IUPAC name of 2-naphthalen-2-ylphthalazin-1-one (CID 730347) is 2-naphthalen-2-ylphthalazin-1-one.
What is the SMILES notation for 2-naphthalen-2-ylphthalazin-1-one?
The canonical SMILES for 2-naphthalen-2-ylphthalazin-1-one is O=c1c2ccccc2cnn1-c1ccc2ccccc2c1.
What is the InChIKey of 2-naphthalen-2-ylphthalazin-1-one?
The InChIKey is FSLCVBMZDHZDKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O/c21-18-17-8-4-3-7-15(17)12-19-20(18)16-10-9-13-5-1-2-6-14(13)11-16/h1-12H.
What are the key properties of 2-naphthalen-2-ylphthalazin-1-one?
2-naphthalen-2-ylphthalazin-1-one has a molecular weight of 272.31 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-ylphthalazin-1-one is sourced from PubChem (CID 730347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).