4-(4-pyridin-4-ylphenyl)-2H-phthalazin-1-one

C19H13N3O — CID 110187221

IUPAC4-(4-pyridin-4-ylphenyl)-2H-phthalazin-1-one
SMILESO=c1[nH]nc(-c2ccc(-c3ccncc3)cc2)c2ccccc12
InChIInChI=1S/C19H13N3O/c23-19-17-4-2-1-3-16(17)18(21-22-19)15-7-5-13(6-8-15)14-9-11-20-12-10-14/h1-12H,(H,22,23)
InChIKeyDRUGLUVHPPKQQO-UHFFFAOYSA-N
MW299.33 g/mol
LogP3.65
Rot. Bonds2

About 4-(4-pyridin-4-ylphenyl)-2H-phthalazin-1-one

4-(4-pyridin-4-ylphenyl)-2H-phthalazin-1-one (PubChem CID 110187221) has the molecular formula C19H13N3O and a molecular weight of 299.33 g/mol. Its IUPAC name is 4-(4-pyridin-4-ylphenyl)-2H-phthalazin-1-one.

Molecular Properties

Compound Name4-(4-pyridin-4-ylphenyl)-2H-phthalazin-1-one
PubChem CID110187221
Molecular FormulaC19H13N3O
Molecular Weight299.33 g/mol
Exact Mass299.11
IUPAC Name4-(4-pyridin-4-ylphenyl)-2H-phthalazin-1-one
SMILESO=c1[nH]nc(-c2ccc(-c3ccncc3)cc2)c2ccccc12
InChIInChI=1S/C19H13N3O/c23-19-17-4-2-1-3-16(17)18(21-22-19)15-7-5-13(6-8-15)14-9-11-20-12-10-14/h1-12H,(H,22,23)
InChIKeyDRUGLUVHPPKQQO-UHFFFAOYSA-N
XLogP3.65
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-pyridin-4-ylphenyl)-2H-phthalazin-1-one?
The IUPAC name of 4-(4-pyridin-4-ylphenyl)-2H-phthalazin-1-one (CID 110187221) is 4-(4-pyridin-4-ylphenyl)-2H-phthalazin-1-one.
What is the SMILES notation for 4-(4-pyridin-4-ylphenyl)-2H-phthalazin-1-one?
The canonical SMILES for 4-(4-pyridin-4-ylphenyl)-2H-phthalazin-1-one is O=c1[nH]nc(-c2ccc(-c3ccncc3)cc2)c2ccccc12.
What is the InChIKey of 4-(4-pyridin-4-ylphenyl)-2H-phthalazin-1-one?
The InChIKey is DRUGLUVHPPKQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O/c23-19-17-4-2-1-3-16(17)18(21-22-19)15-7-5-13(6-8-15)14-9-11-20-12-10-14/h1-12H,(H,22,23).
What are the key properties of 4-(4-pyridin-4-ylphenyl)-2H-phthalazin-1-one?
4-(4-pyridin-4-ylphenyl)-2H-phthalazin-1-one has a molecular weight of 299.33 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-pyridin-4-ylphenyl)-2H-phthalazin-1-one is sourced from PubChem (CID 110187221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).