4-[4-(2-oxo-1-phenylpyrrolidin-3-yl)phenyl]-2H-phthalazin-1-one

C24H19N3O2 — CID 139531331

IUPAC4-[4-(2-oxo-1-phenylpyrrolidin-3-yl)phenyl]-2H-phthalazin-1-one
SMILESO=C1C(c2ccc(-c3n[nH]c(=O)c4ccccc34)cc2)CCN1c1ccccc1
InChIInChI=1S/C24H19N3O2/c28-23-21-9-5-4-8-20(21)22(25-26-23)17-12-10-16(11-13-17)19-14-15-27(24(19)29)18-6-2-1-3-7-18/h1-13,19H,14-15H2,(H,26,28)
InChIKeyFDHNMSABZAMNHA-UHFFFAOYSA-N
MW381.44 g/mol
LogP4.11
Rot. Bonds3

About 4-[4-(2-oxo-1-phenylpyrrolidin-3-yl)phenyl]-2H-phthalazin-1-one

4-[4-(2-oxo-1-phenylpyrrolidin-3-yl)phenyl]-2H-phthalazin-1-one (PubChem CID 139531331) has the molecular formula C24H19N3O2 and a molecular weight of 381.44 g/mol. Its IUPAC name is 4-[4-(2-oxo-1-phenylpyrrolidin-3-yl)phenyl]-2H-phthalazin-1-one.

Molecular Properties

Compound Name4-[4-(2-oxo-1-phenylpyrrolidin-3-yl)phenyl]-2H-phthalazin-1-one
PubChem CID139531331
Molecular FormulaC24H19N3O2
Molecular Weight381.44 g/mol
Exact Mass381.15
IUPAC Name4-[4-(2-oxo-1-phenylpyrrolidin-3-yl)phenyl]-2H-phthalazin-1-one
SMILESO=C1C(c2ccc(-c3n[nH]c(=O)c4ccccc34)cc2)CCN1c1ccccc1
InChIInChI=1S/C24H19N3O2/c28-23-21-9-5-4-8-20(21)22(25-26-23)17-12-10-16(11-13-17)19-14-15-27(24(19)29)18-6-2-1-3-7-18/h1-13,19H,14-15H2,(H,26,28)
InChIKeyFDHNMSABZAMNHA-UHFFFAOYSA-N
XLogP4.11
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[4-(2-oxo-1-phenylpyrrolidin-3-yl)phenyl]-2H-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-[4-(2-oxo-1-phenylpyrrolidin-3-yl)phenyl]-2H-phthalazin-1-one?
The IUPAC name of 4-[4-(2-oxo-1-phenylpyrrolidin-3-yl)phenyl]-2H-phthalazin-1-one (CID 139531331) is 4-[4-(2-oxo-1-phenylpyrrolidin-3-yl)phenyl]-2H-phthalazin-1-one.
What is the SMILES notation for 4-[4-(2-oxo-1-phenylpyrrolidin-3-yl)phenyl]-2H-phthalazin-1-one?
The canonical SMILES for 4-[4-(2-oxo-1-phenylpyrrolidin-3-yl)phenyl]-2H-phthalazin-1-one is O=C1C(c2ccc(-c3n[nH]c(=O)c4ccccc34)cc2)CCN1c1ccccc1.
What is the InChIKey of 4-[4-(2-oxo-1-phenylpyrrolidin-3-yl)phenyl]-2H-phthalazin-1-one?
The InChIKey is FDHNMSABZAMNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O2/c28-23-21-9-5-4-8-20(21)22(25-26-23)17-12-10-16(11-13-17)19-14-15-27(24(19)29)18-6-2-1-3-7-18/h1-13,19H,14-15H2,(H,26,28).
What are the key properties of 4-[4-(2-oxo-1-phenylpyrrolidin-3-yl)phenyl]-2H-phthalazin-1-one?
4-[4-(2-oxo-1-phenylpyrrolidin-3-yl)phenyl]-2H-phthalazin-1-one has a molecular weight of 381.44 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-oxo-1-phenylpyrrolidin-3-yl)phenyl]-2H-phthalazin-1-one is sourced from PubChem (CID 139531331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).