2-[2-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-4-methylphthalazin-1-one

C24H26N4O5 — CID 55903564

IUPAC2-[2-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-4-methylphthalazin-1-one
SMILESCOc1ccc(C(=O)N2CCN(C(=O)Cn3nc(C)c4ccccc4c3=O)CC2)c(OC)c1
InChIInChI=1S/C24H26N4O5/c1-16-18-6-4-5-7-19(18)24(31)28(25-16)15-22(29)26-10-12-27(13-11-26)23(30)20-9-8-17(32-2)14-21(20)33-3/h4-9,14H,10-13,15H2,1-3H3
InChIKeyQLEYYRYNVWIGLR-UHFFFAOYSA-N
MW450.50 g/mol
LogP1.71
Rot. Bonds5

About 2-[2-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-4-methylphthalazin-1-one

2-[2-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-4-methylphthalazin-1-one (PubChem CID 55903564) has the molecular formula C24H26N4O5 and a molecular weight of 450.50 g/mol. Its IUPAC name is 2-[2-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-4-methylphthalazin-1-one.

Molecular Properties

Compound Name2-[2-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-4-methylphthalazin-1-one
PubChem CID55903564
Molecular FormulaC24H26N4O5
Molecular Weight450.50 g/mol
Exact Mass450.19
IUPAC Name2-[2-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-4-methylphthalazin-1-one
SMILESCOc1ccc(C(=O)N2CCN(C(=O)Cn3nc(C)c4ccccc4c3=O)CC2)c(OC)c1
InChIInChI=1S/C24H26N4O5/c1-16-18-6-4-5-7-19(18)24(31)28(25-16)15-22(29)26-10-12-27(13-11-26)23(30)20-9-8-17(32-2)14-21(20)33-3/h4-9,14H,10-13,15H2,1-3H3
InChIKeyQLEYYRYNVWIGLR-UHFFFAOYSA-N
XLogP1.71
TPSA93.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.50
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-(2,4-dimethoxybenzoyl)piperazine-1-carbonyl]-2-phenylphthalazin-1-one
CID 55904452
N-(2,5-dimethoxyphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 1458003
N-[1-(2,4-dimethoxyphenyl)ethyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 134053822
[4-(2-aminobenzoyl)piperazin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 119944903
4-methyl-2-[2-oxo-2-(4-pyridin-4-yloxypiperidin-1-yl)ethyl]phthalazin-1-one
CID 70743963
2-[2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]-4-methylphthalazin-1-one
CID 35375171
2-[2-[(4S)-4-aminoazepan-1-yl]-2-oxoethyl]-4-methylphthalazin-1-one
CID 95724840
ethyl 4-(2,4-dimethoxybenzoyl)-1,4-diazepane-1-carboxylate
CID 110808976
(2,4-dimethoxyphenyl)-[4-(2-methylpyrazolo[1,5-a]quinazolin-5-yl)piperazin-1-yl]methanone
CID 55884140
[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 55548173
(2,4-dimethoxyphenyl)-[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110816009
2-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-4-methylphthalazin-1-one
CID 110884426

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-4-methylphthalazin-1-one?
The IUPAC name of 2-[2-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-4-methylphthalazin-1-one (CID 55903564) is 2-[2-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-4-methylphthalazin-1-one.
What is the SMILES notation for 2-[2-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-4-methylphthalazin-1-one?
The canonical SMILES for 2-[2-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-4-methylphthalazin-1-one is COc1ccc(C(=O)N2CCN(C(=O)Cn3nc(C)c4ccccc4c3=O)CC2)c(OC)c1.
What is the InChIKey of 2-[2-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-4-methylphthalazin-1-one?
The InChIKey is QLEYYRYNVWIGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O5/c1-16-18-6-4-5-7-19(18)24(31)28(25-16)15-22(29)26-10-12-27(13-11-26)23(30)20-9-8-17(32-2)14-21(20)33-3/h4-9,14H,10-13,15H2,1-3H3.
What are the key properties of 2-[2-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-4-methylphthalazin-1-one?
2-[2-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-4-methylphthalazin-1-one has a molecular weight of 450.50 g/mol, XLogP of 1.71, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-4-methylphthalazin-1-one is sourced from PubChem (CID 55903564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).