4-[[3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]methyl]-2H-phthalazin-1-one

C22H24N4O3 — CID 25133283

IUPAC4-[[3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]methyl]-2H-phthalazin-1-one
SMILESO=C(c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1)N1CCN(CCO)CC1
InChIInChI=1S/C22H24N4O3/c27-13-12-25-8-10-26(11-9-25)22(29)17-5-3-4-16(14-17)15-20-18-6-1-2-7-19(18)21(28)24-23-20/h1-7,14,27H,8-13,15H2,(H,24,28)
InChIKeyYFCCLSCQHDEBCS-UHFFFAOYSA-N
MW392.46 g/mol
LogP1.26
Rot. Bonds5

About 4-[[3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]methyl]-2H-phthalazin-1-one

4-[[3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]methyl]-2H-phthalazin-1-one (PubChem CID 25133283) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 4-[[3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]methyl]-2H-phthalazin-1-one.

Molecular Properties

Compound Name4-[[3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]methyl]-2H-phthalazin-1-one
PubChem CID25133283
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name4-[[3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]methyl]-2H-phthalazin-1-one
SMILESO=C(c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1)N1CCN(CCO)CC1
InChIInChI=1S/C22H24N4O3/c27-13-12-25-8-10-26(11-9-25)22(29)17-5-3-4-16(14-17)15-20-18-6-1-2-7-19(18)21(28)24-23-20/h1-7,14,27H,8-13,15H2,(H,24,28)
InChIKeyYFCCLSCQHDEBCS-UHFFFAOYSA-N
XLogP1.26
TPSA89.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]methyl]-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-[[3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]methyl]-2H-phthalazin-1-one?
The IUPAC name of 4-[[3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]methyl]-2H-phthalazin-1-one (CID 25133283) is 4-[[3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]methyl]-2H-phthalazin-1-one.
What is the SMILES notation for 4-[[3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]methyl]-2H-phthalazin-1-one?
The canonical SMILES for 4-[[3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]methyl]-2H-phthalazin-1-one is O=C(c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1)N1CCN(CCO)CC1.
What is the InChIKey of 4-[[3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]methyl]-2H-phthalazin-1-one?
The InChIKey is YFCCLSCQHDEBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c27-13-12-25-8-10-26(11-9-25)22(29)17-5-3-4-16(14-17)15-20-18-6-1-2-7-19(18)21(28)24-23-20/h1-7,14,27H,8-13,15H2,(H,24,28).
What are the key properties of 4-[[3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]methyl]-2H-phthalazin-1-one?
4-[[3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]methyl]-2H-phthalazin-1-one has a molecular weight of 392.46 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]methyl]-2H-phthalazin-1-one is sourced from PubChem (CID 25133283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).