1-methyl-3-[4-(2-methylpentanoyl)piperazin-1-yl]quinoxalin-2-one

C19H26N4O2 — CID 53131469

IUPAC1-methyl-3-[4-(2-methylpentanoyl)piperazin-1-yl]quinoxalin-2-one
SMILESCCCC(C)C(=O)N1CCN(c2nc3ccccc3n(C)c2=O)CC1
InChIInChI=1S/C19H26N4O2/c1-4-7-14(2)18(24)23-12-10-22(11-13-23)17-19(25)21(3)16-9-6-5-8-15(16)20-17/h5-6,8-9,14H,4,7,10-13H2,1-3H3
InChIKeyOYMNLTICHDTWAP-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.02
Rot. Bonds4

About 1-methyl-3-[4-(2-methylpentanoyl)piperazin-1-yl]quinoxalin-2-one

1-methyl-3-[4-(2-methylpentanoyl)piperazin-1-yl]quinoxalin-2-one (PubChem CID 53131469) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-methyl-3-[4-(2-methylpentanoyl)piperazin-1-yl]quinoxalin-2-one.

Molecular Properties

Compound Name1-methyl-3-[4-(2-methylpentanoyl)piperazin-1-yl]quinoxalin-2-one
PubChem CID53131469
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name1-methyl-3-[4-(2-methylpentanoyl)piperazin-1-yl]quinoxalin-2-one
SMILESCCCC(C)C(=O)N1CCN(c2nc3ccccc3n(C)c2=O)CC1
InChIInChI=1S/C19H26N4O2/c1-4-7-14(2)18(24)23-12-10-22(11-13-23)17-19(25)21(3)16-9-6-5-8-15(16)20-17/h5-6,8-9,14H,4,7,10-13H2,1-3H3
InChIKeyOYMNLTICHDTWAP-UHFFFAOYSA-N
XLogP2.02
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[4-(2-methylpentanoyl)piperazin-1-yl]quinoxalin-2-one?
The IUPAC name of 1-methyl-3-[4-(2-methylpentanoyl)piperazin-1-yl]quinoxalin-2-one (CID 53131469) is 1-methyl-3-[4-(2-methylpentanoyl)piperazin-1-yl]quinoxalin-2-one.
What is the SMILES notation for 1-methyl-3-[4-(2-methylpentanoyl)piperazin-1-yl]quinoxalin-2-one?
The canonical SMILES for 1-methyl-3-[4-(2-methylpentanoyl)piperazin-1-yl]quinoxalin-2-one is CCCC(C)C(=O)N1CCN(c2nc3ccccc3n(C)c2=O)CC1.
What is the InChIKey of 1-methyl-3-[4-(2-methylpentanoyl)piperazin-1-yl]quinoxalin-2-one?
The InChIKey is OYMNLTICHDTWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-4-7-14(2)18(24)23-12-10-22(11-13-23)17-19(25)21(3)16-9-6-5-8-15(16)20-17/h5-6,8-9,14H,4,7,10-13H2,1-3H3.
What are the key properties of 1-methyl-3-[4-(2-methylpentanoyl)piperazin-1-yl]quinoxalin-2-one?
1-methyl-3-[4-(2-methylpentanoyl)piperazin-1-yl]quinoxalin-2-one has a molecular weight of 342.44 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[4-(2-methylpentanoyl)piperazin-1-yl]quinoxalin-2-one is sourced from PubChem (CID 53131469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).