4-(4-methylphenyl)-2-pyridin-2-ylphthalazin-1-one

C20H15N3O — CID 3965976

IUPAC4-(4-methylphenyl)-2-pyridin-2-ylphthalazin-1-one
SMILESCc1ccc(-c2nn(-c3ccccn3)c(=O)c3ccccc23)cc1
InChIInChI=1S/C20H15N3O/c1-14-9-11-15(12-10-14)19-16-6-2-3-7-17(16)20(24)23(22-19)18-8-4-5-13-21-18/h2-13H,1H3
InChIKeyTVINTCLVXSGTFX-UHFFFAOYSA-N
MW313.36 g/mol
LogP3.76
Rot. Bonds2

About 4-(4-methylphenyl)-2-pyridin-2-ylphthalazin-1-one

4-(4-methylphenyl)-2-pyridin-2-ylphthalazin-1-one (PubChem CID 3965976) has the molecular formula C20H15N3O and a molecular weight of 313.36 g/mol. Its IUPAC name is 4-(4-methylphenyl)-2-pyridin-2-ylphthalazin-1-one.

Molecular Properties

Compound Name4-(4-methylphenyl)-2-pyridin-2-ylphthalazin-1-one
PubChem CID3965976
Molecular FormulaC20H15N3O
Molecular Weight313.36 g/mol
Exact Mass313.12
IUPAC Name4-(4-methylphenyl)-2-pyridin-2-ylphthalazin-1-one
SMILESCc1ccc(-c2nn(-c3ccccn3)c(=O)c3ccccc23)cc1
InChIInChI=1S/C20H15N3O/c1-14-9-11-15(12-10-14)19-16-6-2-3-7-17(16)20(24)23(22-19)18-8-4-5-13-21-18/h2-13H,1H3
InChIKeyTVINTCLVXSGTFX-UHFFFAOYSA-N
XLogP3.76
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-2-pyridin-2-ylphthalazin-1-one?
The IUPAC name of 4-(4-methylphenyl)-2-pyridin-2-ylphthalazin-1-one (CID 3965976) is 4-(4-methylphenyl)-2-pyridin-2-ylphthalazin-1-one.
What is the SMILES notation for 4-(4-methylphenyl)-2-pyridin-2-ylphthalazin-1-one?
The canonical SMILES for 4-(4-methylphenyl)-2-pyridin-2-ylphthalazin-1-one is Cc1ccc(-c2nn(-c3ccccn3)c(=O)c3ccccc23)cc1.
What is the InChIKey of 4-(4-methylphenyl)-2-pyridin-2-ylphthalazin-1-one?
The InChIKey is TVINTCLVXSGTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O/c1-14-9-11-15(12-10-14)19-16-6-2-3-7-17(16)20(24)23(22-19)18-8-4-5-13-21-18/h2-13H,1H3.
What are the key properties of 4-(4-methylphenyl)-2-pyridin-2-ylphthalazin-1-one?
4-(4-methylphenyl)-2-pyridin-2-ylphthalazin-1-one has a molecular weight of 313.36 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-2-pyridin-2-ylphthalazin-1-one is sourced from PubChem (CID 3965976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).