3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]propanamide

C22H22N4O4 — CID 24601100

IUPAC3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
SMILESCc1cc(NC(=O)CCn2[nH]c(=O)c3ccccc3c2=O)ccc1N1CCCC1=O
InChIInChI=1S/C22H22N4O4/c1-14-13-15(8-9-18(14)25-11-4-7-20(25)28)23-19(27)10-12-26-22(30)17-6-3-2-5-16(17)21(29)24-26/h2-3,5-6,8-9,13H,4,7,10-12H2,1H3,(H,23,27)(H,24,29)
InChIKeyOKDQFAGXONDXRO-UHFFFAOYSA-N
MW406.44 g/mol
LogP2.15
Rot. Bonds5

About 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]propanamide

3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]propanamide (PubChem CID 24601100) has the molecular formula C22H22N4O4 and a molecular weight of 406.44 g/mol. Its IUPAC name is 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
PubChem CID24601100
Molecular FormulaC22H22N4O4
Molecular Weight406.44 g/mol
Exact Mass406.16
IUPAC Name3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
SMILESCc1cc(NC(=O)CCn2[nH]c(=O)c3ccccc3c2=O)ccc1N1CCCC1=O
InChIInChI=1S/C22H22N4O4/c1-14-13-15(8-9-18(14)25-11-4-7-20(25)28)23-19(27)10-12-26-22(30)17-6-3-2-5-16(17)21(29)24-26/h2-3,5-6,8-9,13H,4,7,10-12H2,1H3,(H,23,27)(H,24,29)
InChIKeyOKDQFAGXONDXRO-UHFFFAOYSA-N
XLogP2.15
TPSA104.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]propanamide 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

3-(4-ethylphenyl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 24601082
2,2-dimethyl-N-[3-[3-methyl-4-(2-oxopyrrolidin-1-yl)anilino]-3-oxopropyl]propanamide
CID 18155158
5-chloro-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]pentanamide
CID 43347098
N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(propan-2-ylamino)acetamide
CID 60718577
3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 40723461
[2-[3-methyl-4-(2-oxopiperidin-1-yl)anilino]-2-oxoethyl] 2,2-dimethylpropanoate
CID 7687437
N-[4-[3-(1,4-dioxo-3H-phthalazin-2-yl)propanoylamino]phenyl]-2-methylpropanamide
CID 78804551
3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]propanamide
CID 36544756
N-(3,5-difluorophenyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide
CID 24530023
[2-[3-methyl-4-(2-oxopyrrolidin-1-yl)anilino]-2-oxoethyl] 2,2-dimethylpropanoate
CID 7686604
N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide
CID 51116034
2-(3-chlorophenyl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 100517923

Frequently Asked Questions

What is the IUPAC name of 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]propanamide?
The IUPAC name of 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]propanamide (CID 24601100) is 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]propanamide.
What is the SMILES notation for 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]propanamide?
The canonical SMILES for 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]propanamide is Cc1cc(NC(=O)CCn2[nH]c(=O)c3ccccc3c2=O)ccc1N1CCCC1=O.
What is the InChIKey of 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]propanamide?
The InChIKey is OKDQFAGXONDXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O4/c1-14-13-15(8-9-18(14)25-11-4-7-20(25)28)23-19(27)10-12-26-22(30)17-6-3-2-5-16(17)21(29)24-26/h2-3,5-6,8-9,13H,4,7,10-12H2,1H3,(H,23,27)(H,24,29).
What are the key properties of 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]propanamide?
3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]propanamide has a molecular weight of 406.44 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]propanamide is sourced from PubChem (CID 24601100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).