3-[4-(2-methylpropanoyl)piperazin-1-yl]-1-(2-methylpropyl)quinoxalin-2-one

C20H28N4O2 — CID 53131565

IUPAC3-[4-(2-methylpropanoyl)piperazin-1-yl]-1-(2-methylpropyl)quinoxalin-2-one
SMILESCC(C)Cn1c(=O)c(N2CCN(C(=O)C(C)C)CC2)nc2ccccc21
InChIInChI=1S/C20H28N4O2/c1-14(2)13-24-17-8-6-5-7-16(17)21-18(20(24)26)22-9-11-23(12-10-22)19(25)15(3)4/h5-8,14-15H,9-13H2,1-4H3
InChIKeyNIJNQAUBWRIKBW-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.36
Rot. Bonds4

About 3-[4-(2-methylpropanoyl)piperazin-1-yl]-1-(2-methylpropyl)quinoxalin-2-one

3-[4-(2-methylpropanoyl)piperazin-1-yl]-1-(2-methylpropyl)quinoxalin-2-one (PubChem CID 53131565) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 3-[4-(2-methylpropanoyl)piperazin-1-yl]-1-(2-methylpropyl)quinoxalin-2-one.

Molecular Properties

Compound Name3-[4-(2-methylpropanoyl)piperazin-1-yl]-1-(2-methylpropyl)quinoxalin-2-one
PubChem CID53131565
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name3-[4-(2-methylpropanoyl)piperazin-1-yl]-1-(2-methylpropyl)quinoxalin-2-one
SMILESCC(C)Cn1c(=O)c(N2CCN(C(=O)C(C)C)CC2)nc2ccccc21
InChIInChI=1S/C20H28N4O2/c1-14(2)13-24-17-8-6-5-7-16(17)21-18(20(24)26)22-9-11-23(12-10-22)19(25)15(3)4/h5-8,14-15H,9-13H2,1-4H3
InChIKeyNIJNQAUBWRIKBW-UHFFFAOYSA-N
XLogP2.36
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methylpropanoyl)piperazin-1-yl]-1-(2-methylpropyl)quinoxalin-2-one?
The IUPAC name of 3-[4-(2-methylpropanoyl)piperazin-1-yl]-1-(2-methylpropyl)quinoxalin-2-one (CID 53131565) is 3-[4-(2-methylpropanoyl)piperazin-1-yl]-1-(2-methylpropyl)quinoxalin-2-one.
What is the SMILES notation for 3-[4-(2-methylpropanoyl)piperazin-1-yl]-1-(2-methylpropyl)quinoxalin-2-one?
The canonical SMILES for 3-[4-(2-methylpropanoyl)piperazin-1-yl]-1-(2-methylpropyl)quinoxalin-2-one is CC(C)Cn1c(=O)c(N2CCN(C(=O)C(C)C)CC2)nc2ccccc21.
What is the InChIKey of 3-[4-(2-methylpropanoyl)piperazin-1-yl]-1-(2-methylpropyl)quinoxalin-2-one?
The InChIKey is NIJNQAUBWRIKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-14(2)13-24-17-8-6-5-7-16(17)21-18(20(24)26)22-9-11-23(12-10-22)19(25)15(3)4/h5-8,14-15H,9-13H2,1-4H3.
What are the key properties of 3-[4-(2-methylpropanoyl)piperazin-1-yl]-1-(2-methylpropyl)quinoxalin-2-one?
3-[4-(2-methylpropanoyl)piperazin-1-yl]-1-(2-methylpropyl)quinoxalin-2-one has a molecular weight of 356.47 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methylpropanoyl)piperazin-1-yl]-1-(2-methylpropyl)quinoxalin-2-one is sourced from PubChem (CID 53131565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).