2-(4-fluorophenyl)-N'-[2-(2-oxoquinoxalin-1-yl)acetyl]acetohydrazide

C18H15FN4O3 — CID 31362779

IUPAC2-(4-fluorophenyl)-N'-[2-(2-oxoquinoxalin-1-yl)acetyl]acetohydrazide
SMILESO=C(Cc1ccc(F)cc1)NNC(=O)Cn1c(=O)cnc2ccccc21
InChIInChI=1S/C18H15FN4O3/c19-13-7-5-12(6-8-13)9-16(24)21-22-17(25)11-23-15-4-2-1-3-14(15)20-10-18(23)26/h1-8,10H,9,11H2,(H,21,24)(H,22,25)
InChIKeyBVVFOPXYHCSBDI-UHFFFAOYSA-N
MW354.34 g/mol
LogP0.93
Rot. Bonds4

About 2-(4-fluorophenyl)-N'-[2-(2-oxoquinoxalin-1-yl)acetyl]acetohydrazide

2-(4-fluorophenyl)-N'-[2-(2-oxoquinoxalin-1-yl)acetyl]acetohydrazide (PubChem CID 31362779) has the molecular formula C18H15FN4O3 and a molecular weight of 354.34 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N'-[2-(2-oxoquinoxalin-1-yl)acetyl]acetohydrazide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N'-[2-(2-oxoquinoxalin-1-yl)acetyl]acetohydrazide
PubChem CID31362779
Molecular FormulaC18H15FN4O3
Molecular Weight354.34 g/mol
Exact Mass354.11
IUPAC Name2-(4-fluorophenyl)-N'-[2-(2-oxoquinoxalin-1-yl)acetyl]acetohydrazide
SMILESO=C(Cc1ccc(F)cc1)NNC(=O)Cn1c(=O)cnc2ccccc21
InChIInChI=1S/C18H15FN4O3/c19-13-7-5-12(6-8-13)9-16(24)21-22-17(25)11-23-15-4-2-1-3-14(15)20-10-18(23)26/h1-8,10H,9,11H2,(H,21,24)(H,22,25)
InChIKeyBVVFOPXYHCSBDI-UHFFFAOYSA-N
XLogP0.93
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N'-[2-(2-oxoquinoxalin-1-yl)acetyl]acetohydrazide?
The IUPAC name of 2-(4-fluorophenyl)-N'-[2-(2-oxoquinoxalin-1-yl)acetyl]acetohydrazide (CID 31362779) is 2-(4-fluorophenyl)-N'-[2-(2-oxoquinoxalin-1-yl)acetyl]acetohydrazide.
What is the SMILES notation for 2-(4-fluorophenyl)-N'-[2-(2-oxoquinoxalin-1-yl)acetyl]acetohydrazide?
The canonical SMILES for 2-(4-fluorophenyl)-N'-[2-(2-oxoquinoxalin-1-yl)acetyl]acetohydrazide is O=C(Cc1ccc(F)cc1)NNC(=O)Cn1c(=O)cnc2ccccc21.
What is the InChIKey of 2-(4-fluorophenyl)-N'-[2-(2-oxoquinoxalin-1-yl)acetyl]acetohydrazide?
The InChIKey is BVVFOPXYHCSBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O3/c19-13-7-5-12(6-8-13)9-16(24)21-22-17(25)11-23-15-4-2-1-3-14(15)20-10-18(23)26/h1-8,10H,9,11H2,(H,21,24)(H,22,25).
What are the key properties of 2-(4-fluorophenyl)-N'-[2-(2-oxoquinoxalin-1-yl)acetyl]acetohydrazide?
2-(4-fluorophenyl)-N'-[2-(2-oxoquinoxalin-1-yl)acetyl]acetohydrazide has a molecular weight of 354.34 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N'-[2-(2-oxoquinoxalin-1-yl)acetyl]acetohydrazide is sourced from PubChem (CID 31362779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).