3-methyl-4-oxo-N-(2-pyrrolidin-1-ylphenyl)phthalazine-1-carboxamide

C20H20N4O2 — CID 2714733

IUPAC3-methyl-4-oxo-N-(2-pyrrolidin-1-ylphenyl)phthalazine-1-carboxamide
SMILESCn1nc(C(=O)Nc2ccccc2N2CCCC2)c2ccccc2c1=O
InChIInChI=1S/C20H20N4O2/c1-23-20(26)15-9-3-2-8-14(15)18(22-23)19(25)21-16-10-4-5-11-17(16)24-12-6-7-13-24/h2-5,8-11H,6-7,12-13H2,1H3,(H,21,25)
InChIKeyOWMYZJUYGJEAOG-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.79
Rot. Bonds3

About 3-methyl-4-oxo-N-(2-pyrrolidin-1-ylphenyl)phthalazine-1-carboxamide

3-methyl-4-oxo-N-(2-pyrrolidin-1-ylphenyl)phthalazine-1-carboxamide (PubChem CID 2714733) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 3-methyl-4-oxo-N-(2-pyrrolidin-1-ylphenyl)phthalazine-1-carboxamide.

Molecular Properties

Compound Name3-methyl-4-oxo-N-(2-pyrrolidin-1-ylphenyl)phthalazine-1-carboxamide
PubChem CID2714733
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name3-methyl-4-oxo-N-(2-pyrrolidin-1-ylphenyl)phthalazine-1-carboxamide
SMILESCn1nc(C(=O)Nc2ccccc2N2CCCC2)c2ccccc2c1=O
InChIInChI=1S/C20H20N4O2/c1-23-20(26)15-9-3-2-8-14(15)18(22-23)19(25)21-16-10-4-5-11-17(16)24-12-6-7-13-24/h2-5,8-11H,6-7,12-13H2,1H3,(H,21,25)
InChIKeyOWMYZJUYGJEAOG-UHFFFAOYSA-N
XLogP2.79
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-methyl-4-oxo-N-(2-pyrrolidin-1-ylphenyl)phthalazine-1-carboxamide 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 3-methyl-4-oxo-N-(2-pyrrolidin-1-ylphenyl)phthalazine-1-carboxamide?
The IUPAC name of 3-methyl-4-oxo-N-(2-pyrrolidin-1-ylphenyl)phthalazine-1-carboxamide (CID 2714733) is 3-methyl-4-oxo-N-(2-pyrrolidin-1-ylphenyl)phthalazine-1-carboxamide.
What is the SMILES notation for 3-methyl-4-oxo-N-(2-pyrrolidin-1-ylphenyl)phthalazine-1-carboxamide?
The canonical SMILES for 3-methyl-4-oxo-N-(2-pyrrolidin-1-ylphenyl)phthalazine-1-carboxamide is Cn1nc(C(=O)Nc2ccccc2N2CCCC2)c2ccccc2c1=O.
What is the InChIKey of 3-methyl-4-oxo-N-(2-pyrrolidin-1-ylphenyl)phthalazine-1-carboxamide?
The InChIKey is OWMYZJUYGJEAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-23-20(26)15-9-3-2-8-14(15)18(22-23)19(25)21-16-10-4-5-11-17(16)24-12-6-7-13-24/h2-5,8-11H,6-7,12-13H2,1H3,(H,21,25).
What are the key properties of 3-methyl-4-oxo-N-(2-pyrrolidin-1-ylphenyl)phthalazine-1-carboxamide?
3-methyl-4-oxo-N-(2-pyrrolidin-1-ylphenyl)phthalazine-1-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-oxo-N-(2-pyrrolidin-1-ylphenyl)phthalazine-1-carboxamide is sourced from PubChem (CID 2714733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).