4-phenyl-2-(pyridin-3-ylmethyl)phthalazin-1-one

C20H15N3O — CID 166185401

IUPAC4-phenyl-2-(pyridin-3-ylmethyl)phthalazin-1-one
SMILESO=c1c2ccccc2c(-c2ccccc2)nn1Cc1cccnc1
InChIInChI=1S/C20H15N3O/c24-20-18-11-5-4-10-17(18)19(16-8-2-1-3-9-16)22-23(20)14-15-7-6-12-21-13-15/h1-13H,14H2
InChIKeyLNXNYTPNMUGLQQ-UHFFFAOYSA-N
MW313.36 g/mol
LogP3.51
Rot. Bonds3

About 4-phenyl-2-(pyridin-3-ylmethyl)phthalazin-1-one

4-phenyl-2-(pyridin-3-ylmethyl)phthalazin-1-one (PubChem CID 166185401) has the molecular formula C20H15N3O and a molecular weight of 313.36 g/mol. Its IUPAC name is 4-phenyl-2-(pyridin-3-ylmethyl)phthalazin-1-one.

Molecular Properties

Compound Name4-phenyl-2-(pyridin-3-ylmethyl)phthalazin-1-one
PubChem CID166185401
Molecular FormulaC20H15N3O
Molecular Weight313.36 g/mol
Exact Mass313.12
IUPAC Name4-phenyl-2-(pyridin-3-ylmethyl)phthalazin-1-one
SMILESO=c1c2ccccc2c(-c2ccccc2)nn1Cc1cccnc1
InChIInChI=1S/C20H15N3O/c24-20-18-11-5-4-10-17(18)19(16-8-2-1-3-9-16)22-23(20)14-15-7-6-12-21-13-15/h1-13H,14H2
InChIKeyLNXNYTPNMUGLQQ-UHFFFAOYSA-N
XLogP3.51
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-phenyl-2-(pyridin-3-ylmethyl)phthalazin-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-phenylsulfanylethyl)-4-pyridin-3-ylphthalazin-1-one
CID 11725990
N-[[4-oxo-3-(pyridin-3-ylmethyl)phthalazin-1-yl]methyl]-4-phenylbenzamide
CID 121049574
4-[3-(aminomethyl)phenyl]-2-benzylphthalazin-1-one;hydrochloride
CID 157040231
4-pyridin-3-yl-2-(2-pyrimidin-2-ylsulfanylethyl)phthalazin-1-one
CID 10021488
N-[[4-oxo-3-(pyridin-3-ylmethyl)phthalazin-1-yl]methyl]-2-phenoxyacetamide
CID 121049579
4-(1-oxo-4-pyridin-3-ylphthalazin-2-yl)butanoyl chloride
CID 10314393
2-methyl-4-pyridin-3-ylphthalazin-1-one
CID 10060065
6,7-diethoxy-4-[6-(1-oxo-4-pyridin-3-ylphthalazin-2-yl)-1,2-dihydropyridin-4-yl]-2-(pyridin-3-ylmethyl)phthalazin-1-one
CID 20728198
dimethyl-[2-(1-oxo-4-phenylphthalazin-2-yl)ethyl]azanium chloride
CID 43834263
3-benzyl-4-oxo-N-pyridin-3-ylphthalazine-1-carboxamide
CID 26592291
2-(1-oxo-4-phenylphthalazin-2-yl)acetate
CID 4052053
2-benzyl-4-(2,3-dihydro-1,4-benzodioxin-6-yl)phthalazin-1-one
CID 44721584

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-(pyridin-3-ylmethyl)phthalazin-1-one?
The IUPAC name of 4-phenyl-2-(pyridin-3-ylmethyl)phthalazin-1-one (CID 166185401) is 4-phenyl-2-(pyridin-3-ylmethyl)phthalazin-1-one.
What is the SMILES notation for 4-phenyl-2-(pyridin-3-ylmethyl)phthalazin-1-one?
The canonical SMILES for 4-phenyl-2-(pyridin-3-ylmethyl)phthalazin-1-one is O=c1c2ccccc2c(-c2ccccc2)nn1Cc1cccnc1.
What is the InChIKey of 4-phenyl-2-(pyridin-3-ylmethyl)phthalazin-1-one?
The InChIKey is LNXNYTPNMUGLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O/c24-20-18-11-5-4-10-17(18)19(16-8-2-1-3-9-16)22-23(20)14-15-7-6-12-21-13-15/h1-13H,14H2.
What are the key properties of 4-phenyl-2-(pyridin-3-ylmethyl)phthalazin-1-one?
4-phenyl-2-(pyridin-3-ylmethyl)phthalazin-1-one has a molecular weight of 313.36 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-(pyridin-3-ylmethyl)phthalazin-1-one is sourced from PubChem (CID 166185401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).