4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2H-phthalazin-1-one

C20H19FN4O2 — CID 2620672

IUPAC4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2H-phthalazin-1-one
SMILESO=C(Cc1n[nH]c(=O)c2ccccc12)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H19FN4O2/c21-14-5-7-15(8-6-14)24-9-11-25(12-10-24)19(26)13-18-16-3-1-2-4-17(16)20(27)23-22-18/h1-8H,9-13H2,(H,23,27)
InChIKeyMJPXQIPDTKLBDF-UHFFFAOYSA-N
MW366.40 g/mol
LogP1.95
Rot. Bonds3

About 4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2H-phthalazin-1-one

4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2H-phthalazin-1-one (PubChem CID 2620672) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is 4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2H-phthalazin-1-one.

Molecular Properties

Compound Name4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2H-phthalazin-1-one
PubChem CID2620672
Molecular FormulaC20H19FN4O2
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC Name4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2H-phthalazin-1-one
SMILESO=C(Cc1n[nH]c(=O)c2ccccc12)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H19FN4O2/c21-14-5-7-15(8-6-14)24-9-11-25(12-10-24)19(26)13-18-16-3-1-2-4-17(16)20(27)23-22-18/h1-8H,9-13H2,(H,23,27)
InChIKeyMJPXQIPDTKLBDF-UHFFFAOYSA-N
XLogP1.95
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2H-phthalazin-1-one?
The IUPAC name of 4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2H-phthalazin-1-one (CID 2620672) is 4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2H-phthalazin-1-one.
What is the SMILES notation for 4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2H-phthalazin-1-one?
The canonical SMILES for 4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2H-phthalazin-1-one is O=C(Cc1n[nH]c(=O)c2ccccc12)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2H-phthalazin-1-one?
The InChIKey is MJPXQIPDTKLBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2/c21-14-5-7-15(8-6-14)24-9-11-25(12-10-24)19(26)13-18-16-3-1-2-4-17(16)20(27)23-22-18/h1-8H,9-13H2,(H,23,27).
What are the key properties of 4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2H-phthalazin-1-one?
4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2H-phthalazin-1-one has a molecular weight of 366.40 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2H-phthalazin-1-one is sourced from PubChem (CID 2620672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).