4-benzyl-2-[2-(diethylamino)ethyl]phthalazin-1-one

C21H25N3O — CID 3529139

IUPAC4-benzyl-2-[2-(diethylamino)ethyl]phthalazin-1-one
SMILESCCN(CC)CCn1nc(Cc2ccccc2)c2ccccc2c1=O
InChIInChI=1S/C21H25N3O/c1-3-23(4-2)14-15-24-21(25)19-13-9-8-12-18(19)20(22-24)16-17-10-6-5-7-11-17/h5-13H,3-4,14-16H2,1-2H3
InChIKeyXFYGYJVVAFLKBB-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.33
Rot. Bonds7

About 4-benzyl-2-[2-(diethylamino)ethyl]phthalazin-1-one

4-benzyl-2-[2-(diethylamino)ethyl]phthalazin-1-one (PubChem CID 3529139) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is 4-benzyl-2-[2-(diethylamino)ethyl]phthalazin-1-one.

Molecular Properties

Compound Name4-benzyl-2-[2-(diethylamino)ethyl]phthalazin-1-one
PubChem CID3529139
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC Name4-benzyl-2-[2-(diethylamino)ethyl]phthalazin-1-one
SMILESCCN(CC)CCn1nc(Cc2ccccc2)c2ccccc2c1=O
InChIInChI=1S/C21H25N3O/c1-3-23(4-2)14-15-24-21(25)19-13-9-8-12-18(19)20(22-24)16-17-10-6-5-7-11-17/h5-13H,3-4,14-16H2,1-2H3
InChIKeyXFYGYJVVAFLKBB-UHFFFAOYSA-N
XLogP3.33
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-benzyl-2-[2-(diethylamino)ethyl]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

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-[2-(diethylamino)ethyl]phthalazin-1-one?
The IUPAC name of 4-benzyl-2-[2-(diethylamino)ethyl]phthalazin-1-one (CID 3529139) is 4-benzyl-2-[2-(diethylamino)ethyl]phthalazin-1-one.
What is the SMILES notation for 4-benzyl-2-[2-(diethylamino)ethyl]phthalazin-1-one?
The canonical SMILES for 4-benzyl-2-[2-(diethylamino)ethyl]phthalazin-1-one is CCN(CC)CCn1nc(Cc2ccccc2)c2ccccc2c1=O.
What is the InChIKey of 4-benzyl-2-[2-(diethylamino)ethyl]phthalazin-1-one?
The InChIKey is XFYGYJVVAFLKBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c1-3-23(4-2)14-15-24-21(25)19-13-9-8-12-18(19)20(22-24)16-17-10-6-5-7-11-17/h5-13H,3-4,14-16H2,1-2H3.
What are the key properties of 4-benzyl-2-[2-(diethylamino)ethyl]phthalazin-1-one?
4-benzyl-2-[2-(diethylamino)ethyl]phthalazin-1-one has a molecular weight of 335.45 g/mol, XLogP of 3.33, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-[2-(diethylamino)ethyl]phthalazin-1-one is sourced from PubChem (CID 3529139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).