1-[2-(3-benzyl-2-oxoquinoxalin-1-yl)acetyl]pyrazolidine-3,5-dione

C20H16N4O4 — CID 164615195

IUPAC1-[2-(3-benzyl-2-oxoquinoxalin-1-yl)acetyl]pyrazolidine-3,5-dione
SMILESO=C1CC(=O)N(C(=O)Cn2c(=O)c(Cc3ccccc3)nc3ccccc32)N1
InChIInChI=1S/C20H16N4O4/c25-17-11-18(26)24(22-17)19(27)12-23-16-9-5-4-8-14(16)21-15(20(23)28)10-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,22,25)
InChIKeyHBWLZINONPUBRO-UHFFFAOYSA-N
MW376.37 g/mol
LogP0.78
Rot. Bonds4

About 1-[2-(3-benzyl-2-oxoquinoxalin-1-yl)acetyl]pyrazolidine-3,5-dione

1-[2-(3-benzyl-2-oxoquinoxalin-1-yl)acetyl]pyrazolidine-3,5-dione (PubChem CID 164615195) has the molecular formula C20H16N4O4 and a molecular weight of 376.37 g/mol. Its IUPAC name is 1-[2-(3-benzyl-2-oxoquinoxalin-1-yl)acetyl]pyrazolidine-3,5-dione.

Molecular Properties

Compound Name1-[2-(3-benzyl-2-oxoquinoxalin-1-yl)acetyl]pyrazolidine-3,5-dione
PubChem CID164615195
Molecular FormulaC20H16N4O4
Molecular Weight376.37 g/mol
Exact Mass376.12
IUPAC Name1-[2-(3-benzyl-2-oxoquinoxalin-1-yl)acetyl]pyrazolidine-3,5-dione
SMILESO=C1CC(=O)N(C(=O)Cn2c(=O)c(Cc3ccccc3)nc3ccccc32)N1
InChIInChI=1S/C20H16N4O4/c25-17-11-18(26)24(22-17)19(27)12-23-16-9-5-4-8-14(16)21-15(20(23)28)10-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,22,25)
InChIKeyHBWLZINONPUBRO-UHFFFAOYSA-N
XLogP0.78
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.37
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_B(12)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-benzyl-2-oxoquinoxalin-1-yl)acetyl]pyrazolidine-3,5-dione?
The IUPAC name of 1-[2-(3-benzyl-2-oxoquinoxalin-1-yl)acetyl]pyrazolidine-3,5-dione (CID 164615195) is 1-[2-(3-benzyl-2-oxoquinoxalin-1-yl)acetyl]pyrazolidine-3,5-dione.
What is the SMILES notation for 1-[2-(3-benzyl-2-oxoquinoxalin-1-yl)acetyl]pyrazolidine-3,5-dione?
The canonical SMILES for 1-[2-(3-benzyl-2-oxoquinoxalin-1-yl)acetyl]pyrazolidine-3,5-dione is O=C1CC(=O)N(C(=O)Cn2c(=O)c(Cc3ccccc3)nc3ccccc32)N1.
What is the InChIKey of 1-[2-(3-benzyl-2-oxoquinoxalin-1-yl)acetyl]pyrazolidine-3,5-dione?
The InChIKey is HBWLZINONPUBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O4/c25-17-11-18(26)24(22-17)19(27)12-23-16-9-5-4-8-14(16)21-15(20(23)28)10-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,22,25).
What are the key properties of 1-[2-(3-benzyl-2-oxoquinoxalin-1-yl)acetyl]pyrazolidine-3,5-dione?
1-[2-(3-benzyl-2-oxoquinoxalin-1-yl)acetyl]pyrazolidine-3,5-dione has a molecular weight of 376.37 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-benzyl-2-oxoquinoxalin-1-yl)acetyl]pyrazolidine-3,5-dione is sourced from PubChem (CID 164615195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).