4-methyl-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phthalazin-1-one

C16H20N4O2 — CID 709326

IUPAC4-methyl-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phthalazin-1-one
SMILESCc1nn(CC(=O)N2CCN(C)CC2)c(=O)c2ccccc12
InChIInChI=1S/C16H20N4O2/c1-12-13-5-3-4-6-14(13)16(22)20(17-12)11-15(21)19-9-7-18(2)8-10-19/h3-6H,7-11H2,1-2H3
InChIKeyTWQBZZIJNALPGH-UHFFFAOYSA-N
MW300.36 g/mol
LogP0.48
Rot. Bonds2

About 4-methyl-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phthalazin-1-one

4-methyl-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phthalazin-1-one (PubChem CID 709326) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 4-methyl-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phthalazin-1-one.

Molecular Properties

Compound Name4-methyl-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phthalazin-1-one
PubChem CID709326
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name4-methyl-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phthalazin-1-one
SMILESCc1nn(CC(=O)N2CCN(C)CC2)c(=O)c2ccccc12
InChIInChI=1S/C16H20N4O2/c1-12-13-5-3-4-6-14(13)16(22)20(17-12)11-15(21)19-9-7-18(2)8-10-19/h3-6H,7-11H2,1-2H3
InChIKeyTWQBZZIJNALPGH-UHFFFAOYSA-N
XLogP0.48
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phthalazin-1-one?
The IUPAC name of 4-methyl-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phthalazin-1-one (CID 709326) is 4-methyl-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phthalazin-1-one.
What is the SMILES notation for 4-methyl-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phthalazin-1-one?
The canonical SMILES for 4-methyl-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phthalazin-1-one is Cc1nn(CC(=O)N2CCN(C)CC2)c(=O)c2ccccc12.
What is the InChIKey of 4-methyl-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phthalazin-1-one?
The InChIKey is TWQBZZIJNALPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-12-13-5-3-4-6-14(13)16(22)20(17-12)11-15(21)19-9-7-18(2)8-10-19/h3-6H,7-11H2,1-2H3.
What are the key properties of 4-methyl-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phthalazin-1-one?
4-methyl-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phthalazin-1-one has a molecular weight of 300.36 g/mol, XLogP of 0.48, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phthalazin-1-one is sourced from PubChem (CID 709326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).