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

C23H24N4O4 — CID 5155221

IUPAC3-(4-methoxyphenyl)-4-oxo-N-(2-oxo-2-piperidin-1-ylethyl)phthalazine-1-carboxamide
SMILESCOc1ccc(-n2nc(C(=O)NCC(=O)N3CCCCC3)c3ccccc3c2=O)cc1
InChIInChI=1S/C23H24N4O4/c1-31-17-11-9-16(10-12-17)27-23(30)19-8-4-3-7-18(19)21(25-27)22(29)24-15-20(28)26-13-5-2-6-14-26/h3-4,7-12H,2,5-6,13-15H2,1H3,(H,24,29)
InChIKeyNECTWISEIOGVLZ-UHFFFAOYSA-N
MW420.47 g/mol
LogP2.14
Rot. Bonds5

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

3-(4-methoxyphenyl)-4-oxo-N-(2-oxo-2-piperidin-1-ylethyl)phthalazine-1-carboxamide (PubChem CID 5155221) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-4-oxo-N-(2-oxo-2-piperidin-1-ylethyl)phthalazine-1-carboxamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-4-oxo-N-(2-oxo-2-piperidin-1-ylethyl)phthalazine-1-carboxamide
PubChem CID5155221
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC Name3-(4-methoxyphenyl)-4-oxo-N-(2-oxo-2-piperidin-1-ylethyl)phthalazine-1-carboxamide
SMILESCOc1ccc(-n2nc(C(=O)NCC(=O)N3CCCCC3)c3ccccc3c2=O)cc1
InChIInChI=1S/C23H24N4O4/c1-31-17-11-9-16(10-12-17)27-23(30)19-8-4-3-7-18(19)21(25-27)22(29)24-15-20(28)26-13-5-2-6-14-26/h3-4,7-12H,2,5-6,13-15H2,1H3,(H,24,29)
InChIKeyNECTWISEIOGVLZ-UHFFFAOYSA-N
XLogP2.14
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(4-Methoxyphenyl)amino]-2-piperidylnaphthalene-1,4-dione
CID 1389332
N-(4-methoxyphenyl)-2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetamide
CID 758936
Antifungal agent 35
CID 134130547
4-[(4-methoxyanilino)methyl]-1(2H)-phthalazinone
CID 1482305
4-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethylamino}-2-methyl-6-phenyl-5-propionyl-2H-pyridazin-3-one
CID 10005161
5-Acetyl-4-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl]-ethylamino}-2-methyl-6-phenyl-2H-pyridazin-3-one
CID 10434440
5-Acetyl-4-amino-2-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl]-ethyl}-6-phenyl-2H-pyridazin-3-one
CID 44294569
Parp1/2/tnks1/2-IN-1
CID 168277795
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 9419018
N-(4-methoxyphenyl)-4-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)benzamide
CID 1087197
2-Methoxy-5-[[4-(3-methyl-4-oxophthalazin-1-yl)benzoyl]amino]benzamide
CID 1292688
2-methoxy-N-methyl-5-{[3-(1-oxo-4-phenylphthalazin-2(1H)-yl)propanoyl]amino}benzamide
CID 1887616

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-4-oxo-N-(2-oxo-2-piperidin-1-ylethyl)phthalazine-1-carboxamide?
The IUPAC name of 3-(4-methoxyphenyl)-4-oxo-N-(2-oxo-2-piperidin-1-ylethyl)phthalazine-1-carboxamide (CID 5155221) is 3-(4-methoxyphenyl)-4-oxo-N-(2-oxo-2-piperidin-1-ylethyl)phthalazine-1-carboxamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-4-oxo-N-(2-oxo-2-piperidin-1-ylethyl)phthalazine-1-carboxamide?
The canonical SMILES for 3-(4-methoxyphenyl)-4-oxo-N-(2-oxo-2-piperidin-1-ylethyl)phthalazine-1-carboxamide is COc1ccc(-n2nc(C(=O)NCC(=O)N3CCCCC3)c3ccccc3c2=O)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-4-oxo-N-(2-oxo-2-piperidin-1-ylethyl)phthalazine-1-carboxamide?
The InChIKey is NECTWISEIOGVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4/c1-31-17-11-9-16(10-12-17)27-23(30)19-8-4-3-7-18(19)21(25-27)22(29)24-15-20(28)26-13-5-2-6-14-26/h3-4,7-12H,2,5-6,13-15H2,1H3,(H,24,29).
What are the key properties of 3-(4-methoxyphenyl)-4-oxo-N-(2-oxo-2-piperidin-1-ylethyl)phthalazine-1-carboxamide?
3-(4-methoxyphenyl)-4-oxo-N-(2-oxo-2-piperidin-1-ylethyl)phthalazine-1-carboxamide has a molecular weight of 420.47 g/mol, XLogP of 2.14, 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-piperidin-1-ylethyl)phthalazine-1-carboxamide is sourced from PubChem (CID 5155221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).