2-ethyl-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phthalazin-1-one

C22H24N4O3 — CID 26912236

IUPAC2-ethyl-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phthalazin-1-one
SMILESCCn1nc(C(=O)N2CCN(c3ccccc3OC)CC2)c2ccccc2c1=O
InChIInChI=1S/C22H24N4O3/c1-3-26-21(27)17-9-5-4-8-16(17)20(23-26)22(28)25-14-12-24(13-15-25)18-10-6-7-11-19(18)29-2/h4-11H,3,12-15H2,1-2H3
InChIKeyPANPNFMFNLQGII-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.39
Rot. Bonds4

About 2-ethyl-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phthalazin-1-one

2-ethyl-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phthalazin-1-one (PubChem CID 26912236) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-ethyl-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phthalazin-1-one.

Molecular Properties

Compound Name2-ethyl-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phthalazin-1-one
PubChem CID26912236
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name2-ethyl-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phthalazin-1-one
SMILESCCn1nc(C(=O)N2CCN(c3ccccc3OC)CC2)c2ccccc2c1=O
InChIInChI=1S/C22H24N4O3/c1-3-26-21(27)17-9-5-4-8-16(17)20(23-26)22(28)25-14-12-24(13-15-25)18-10-6-7-11-19(18)29-2/h4-11H,3,12-15H2,1-2H3
InChIKeyPANPNFMFNLQGII-UHFFFAOYSA-N
XLogP2.39
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-(4,5-difluoro-2-methoxyphenyl)piperazine-1-carbonyl]-2-ethylphthalazin-1-one
CID 171630933
ethane;2-ethyl-4-[4-(3-methoxy-2-pyridinyl)piperazine-1-carbonyl]phthalazin-1-one
CID 171631020
2-ethyl-4-[4-(4-methoxy-3-pyridinyl)piperazine-1-carbonyl]pyrido[3,4-d]pyridazin-1-one
CID 171630560
2-(4-ethoxyphenyl)-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phthalazin-1-one
CID 3443205
4-(azetidine-1-carbonyl)-2-ethylphthalazin-1-one
CID 26925219
2-ethyl-4-[4-(5-isocyano-3-methoxy-2-pyridinyl)piperazine-1-carbonyl]phthalazin-1-one
CID 172510491
2-ethyl-4-(4-methoxypiperidine-1-carbonyl)phthalazin-1-one
CID 56810543
4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2H-phthalazin-1-one
CID 2557287
4-[4-[(1E,3E)-1,4-diamino-3-methoxybuta-1,3-dienyl]piperazine-1-carbonyl]-2-ethylphthalazin-1-one
CID 171630530
2-ethyl-4-[4-(4-nitrophenyl)piperazine-1-carbonyl]phthalazin-1-one
CID 7921160
1-(3-ethyl-4-oxophthalazine-1-carbonyl)-4-phenylpiperidine-4-carboxylic acid
CID 45433439
4-[4-(3-methoxy-2-pyridinyl)piperazine-1-carbonyl]-2-methylphthalazin-1-one
CID 171630603

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phthalazin-1-one?
The IUPAC name of 2-ethyl-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phthalazin-1-one (CID 26912236) is 2-ethyl-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phthalazin-1-one.
What is the SMILES notation for 2-ethyl-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phthalazin-1-one?
The canonical SMILES for 2-ethyl-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phthalazin-1-one is CCn1nc(C(=O)N2CCN(c3ccccc3OC)CC2)c2ccccc2c1=O.
What is the InChIKey of 2-ethyl-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phthalazin-1-one?
The InChIKey is PANPNFMFNLQGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-3-26-21(27)17-9-5-4-8-16(17)20(23-26)22(28)25-14-12-24(13-15-25)18-10-6-7-11-19(18)29-2/h4-11H,3,12-15H2,1-2H3.
What are the key properties of 2-ethyl-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phthalazin-1-one?
2-ethyl-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phthalazin-1-one has a molecular weight of 392.46 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phthalazin-1-one is sourced from PubChem (CID 26912236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).