4-[4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]-2-methylphthalazin-1-one

C22H24N4O3 — CID 1291171

IUPAC4-[4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]-2-methylphthalazin-1-one
SMILESCn1nc(-c2ccc(C(=O)N3CCN(CCO)CC3)cc2)c2ccccc2c1=O
InChIInChI=1S/C22H24N4O3/c1-24-22(29)19-5-3-2-4-18(19)20(23-24)16-6-8-17(9-7-16)21(28)26-12-10-25(11-13-26)14-15-27/h2-9,27H,10-15H2,1H3
InChIKeyWDVAOWGLAIBCPX-UHFFFAOYSA-N
MW392.46 g/mol
LogP1.35
Rot. Bonds4

About 4-[4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]-2-methylphthalazin-1-one

4-[4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]-2-methylphthalazin-1-one (PubChem CID 1291171) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 4-[4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]-2-methylphthalazin-1-one.

Molecular Properties

Compound Name4-[4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]-2-methylphthalazin-1-one
PubChem CID1291171
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name4-[4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]-2-methylphthalazin-1-one
SMILESCn1nc(-c2ccc(C(=O)N3CCN(CCO)CC3)cc2)c2ccccc2c1=O
InChIInChI=1S/C22H24N4O3/c1-24-22(29)19-5-3-2-4-18(19)20(23-24)16-6-8-17(9-7-16)21(28)26-12-10-25(11-13-26)14-15-27/h2-9,27H,10-15H2,1H3
InChIKeyWDVAOWGLAIBCPX-UHFFFAOYSA-N
XLogP1.35
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]-2-methylphthalazin-1-one?
The IUPAC name of 4-[4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]-2-methylphthalazin-1-one (CID 1291171) is 4-[4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]-2-methylphthalazin-1-one.
What is the SMILES notation for 4-[4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]-2-methylphthalazin-1-one?
The canonical SMILES for 4-[4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]-2-methylphthalazin-1-one is Cn1nc(-c2ccc(C(=O)N3CCN(CCO)CC3)cc2)c2ccccc2c1=O.
What is the InChIKey of 4-[4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]-2-methylphthalazin-1-one?
The InChIKey is WDVAOWGLAIBCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-24-22(29)19-5-3-2-4-18(19)20(23-24)16-6-8-17(9-7-16)21(28)26-12-10-25(11-13-26)14-15-27/h2-9,27H,10-15H2,1H3.
What are the key properties of 4-[4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]-2-methylphthalazin-1-one?
4-[4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]-2-methylphthalazin-1-one has a molecular weight of 392.46 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]-2-methylphthalazin-1-one is sourced from PubChem (CID 1291171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).