2-butyl-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phthalazin-1-one

C22H24N4O4 — CID 17428260

IUPAC2-butyl-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phthalazin-1-one
SMILESCCCCn1nc(C(=O)N2CCN(C(=O)c3ccco3)CC2)c2ccccc2c1=O
InChIInChI=1S/C22H24N4O4/c1-2-3-10-26-20(27)17-8-5-4-7-16(17)19(23-26)22(29)25-13-11-24(12-14-25)21(28)18-9-6-15-30-18/h4-9,15H,2-3,10-14H2,1H3
InChIKeyZUDMIDZHJOCDHR-UHFFFAOYSA-N
MW408.46 g/mol
LogP2.39
Rot. Bonds5

About 2-butyl-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phthalazin-1-one

2-butyl-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phthalazin-1-one (PubChem CID 17428260) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is 2-butyl-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phthalazin-1-one.

Molecular Properties

Compound Name2-butyl-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phthalazin-1-one
PubChem CID17428260
Molecular FormulaC22H24N4O4
Molecular Weight408.46 g/mol
Exact Mass408.18
IUPAC Name2-butyl-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phthalazin-1-one
SMILESCCCCn1nc(C(=O)N2CCN(C(=O)c3ccco3)CC2)c2ccccc2c1=O
InChIInChI=1S/C22H24N4O4/c1-2-3-10-26-20(27)17-8-5-4-7-16(17)19(23-26)22(29)25-13-11-24(12-14-25)21(28)18-9-6-15-30-18/h4-9,15H,2-3,10-14H2,1H3
InChIKeyZUDMIDZHJOCDHR-UHFFFAOYSA-N
XLogP2.39
TPSA88.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-butyl-4-(4-methylpiperazine-1-carbonyl)phthalazin-1-one
CID 9452362
[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 4-oxo-3-propylphthalazine-1-carboxylate
CID 16502564
2-butyl-6-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyridazin-3-one
CID 42161962
2-hexyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phthalazin-1-one
CID 7928690
1-(3-butyl-4-oxophthalazine-1-carbonyl)-4-phenylpiperidine-4-carboxylic acid
CID 45433460
4-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]-2-pentylphthalazin-1-one
CID 55496276
2-butyl-4-[4-(3-chlorophenyl)piperazine-1-carbonyl]phthalazin-1-one
CID 9146689
4-[4-(5-chloro-2-fluorobenzoyl)piperazine-1-carbonyl]-2-pentylphthalazin-1-one
CID 55716724
3-ethyl-N'-[1-(furan-2-carbonyl)piperidine-4-carbonyl]-4-oxophthalazine-1-carbohydrazide
CID 26281878
2-[4-(3-butyl-4-oxophthalazine-1-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 99164422
N-[1-(4-oxo-3-pentylphthalazine-1-carbonyl)piperidin-4-yl]methanesulfonamide
CID 55478167
4-[4-[2-(4-fluorophenyl)acetyl]piperazine-1-carbonyl]-2-propylphthalazin-1-one
CID 35366950

Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phthalazin-1-one?
The IUPAC name of 2-butyl-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phthalazin-1-one (CID 17428260) is 2-butyl-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phthalazin-1-one.
What is the SMILES notation for 2-butyl-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phthalazin-1-one?
The canonical SMILES for 2-butyl-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phthalazin-1-one is CCCCn1nc(C(=O)N2CCN(C(=O)c3ccco3)CC2)c2ccccc2c1=O.
What is the InChIKey of 2-butyl-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phthalazin-1-one?
The InChIKey is ZUDMIDZHJOCDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4/c1-2-3-10-26-20(27)17-8-5-4-7-16(17)19(23-26)22(29)25-13-11-24(12-14-25)21(28)18-9-6-15-30-18/h4-9,15H,2-3,10-14H2,1H3.
What are the key properties of 2-butyl-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phthalazin-1-one?
2-butyl-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phthalazin-1-one has a molecular weight of 408.46 g/mol, XLogP of 2.39, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phthalazin-1-one is sourced from PubChem (CID 17428260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).