3-(4-methoxyphenyl)-4-oxo-N-(2-oxo-2-pyrrolidin-1-ylethyl)phthalazine-1-carboxamide

C22H22N4O4 — CID 4229928

IUPAC3-(4-methoxyphenyl)-4-oxo-N-(2-oxo-2-pyrrolidin-1-ylethyl)phthalazine-1-carboxamide
SMILESCOc1ccc(-n2nc(C(=O)NCC(=O)N3CCCC3)c3ccccc3c2=O)cc1
InChIInChI=1S/C22H22N4O4/c1-30-16-10-8-15(9-11-16)26-22(29)18-7-3-2-6-17(18)20(24-26)21(28)23-14-19(27)25-12-4-5-13-25/h2-3,6-11H,4-5,12-14H2,1H3,(H,23,28)
InChIKeyVNXJRGUXYBTMIL-UHFFFAOYSA-N
MW406.44 g/mol
LogP1.75
Rot. Bonds5

About 3-(4-methoxyphenyl)-4-oxo-N-(2-oxo-2-pyrrolidin-1-ylethyl)phthalazine-1-carboxamide

3-(4-methoxyphenyl)-4-oxo-N-(2-oxo-2-pyrrolidin-1-ylethyl)phthalazine-1-carboxamide (PubChem CID 4229928) has the molecular formula C22H22N4O4 and a molecular weight of 406.44 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-4-oxo-N-(2-oxo-2-pyrrolidin-1-ylethyl)phthalazine-1-carboxamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-4-oxo-N-(2-oxo-2-pyrrolidin-1-ylethyl)phthalazine-1-carboxamide
PubChem CID4229928
Molecular FormulaC22H22N4O4
Molecular Weight406.44 g/mol
Exact Mass406.16
IUPAC Name3-(4-methoxyphenyl)-4-oxo-N-(2-oxo-2-pyrrolidin-1-ylethyl)phthalazine-1-carboxamide
SMILESCOc1ccc(-n2nc(C(=O)NCC(=O)N3CCCC3)c3ccccc3c2=O)cc1
InChIInChI=1S/C22H22N4O4/c1-30-16-10-8-15(9-11-16)26-22(29)18-7-3-2-6-17(18)20(24-26)21(28)23-14-19(27)25-12-4-5-13-25/h2-3,6-11H,4-5,12-14H2,1H3,(H,23,28)
InChIKeyVNXJRGUXYBTMIL-UHFFFAOYSA-N
XLogP1.75
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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2-{[3-(2,4-Dimethoxyphenyl)-4-oxo-3,4-dihydrophthalazin-1-YL]formamido}-N-[(furan-2-YL)methyl]acetamide
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N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-2-(4-oxo-3H-phthalazin-1-yl)acetamide
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N-(4-methoxyphenyl)-4-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)benzamide
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2-methoxy-N-methyl-5-{[3-(1-oxo-4-phenylphthalazin-2(1H)-yl)propanoyl]amino}benzamide
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N-(2-methoxyphenyl)-2-(3-methyl-4-oxo-3,4-dihydro-1-phthalazinyl)acetamide
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CID 1485947
4-{2-[4-(4-methoxyphenyl)-1-piperazinyl]-2-oxoethyl}-2-methyl-1(2H)-phthalazinone
CID 2174323
N-{2-[4-(4-Methoxyphenyl)piperazin-1-YL]-2-oxoethyl}-2-(3-methyl-1-oxo-1,2-dihydroisoquinolin-2-YL)acetamide
CID 3236169
N-[3-(diethylamino)propyl]-3-(3-methoxyphenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-4-oxo-N-(2-oxo-2-pyrrolidin-1-ylethyl)phthalazine-1-carboxamide?
The IUPAC name of 3-(4-methoxyphenyl)-4-oxo-N-(2-oxo-2-pyrrolidin-1-ylethyl)phthalazine-1-carboxamide (CID 4229928) is 3-(4-methoxyphenyl)-4-oxo-N-(2-oxo-2-pyrrolidin-1-ylethyl)phthalazine-1-carboxamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-4-oxo-N-(2-oxo-2-pyrrolidin-1-ylethyl)phthalazine-1-carboxamide?
The canonical SMILES for 3-(4-methoxyphenyl)-4-oxo-N-(2-oxo-2-pyrrolidin-1-ylethyl)phthalazine-1-carboxamide is COc1ccc(-n2nc(C(=O)NCC(=O)N3CCCC3)c3ccccc3c2=O)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-4-oxo-N-(2-oxo-2-pyrrolidin-1-ylethyl)phthalazine-1-carboxamide?
The InChIKey is VNXJRGUXYBTMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O4/c1-30-16-10-8-15(9-11-16)26-22(29)18-7-3-2-6-17(18)20(24-26)21(28)23-14-19(27)25-12-4-5-13-25/h2-3,6-11H,4-5,12-14H2,1H3,(H,23,28).
What are the key properties of 3-(4-methoxyphenyl)-4-oxo-N-(2-oxo-2-pyrrolidin-1-ylethyl)phthalazine-1-carboxamide?
3-(4-methoxyphenyl)-4-oxo-N-(2-oxo-2-pyrrolidin-1-ylethyl)phthalazine-1-carboxamide has a molecular weight of 406.44 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-4-oxo-N-(2-oxo-2-pyrrolidin-1-ylethyl)phthalazine-1-carboxamide is sourced from PubChem (CID 4229928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).