2-(4-fluorophenyl)-3-(3-oxopiperazin-1-yl)quinoxaline-6-carboxylic acid

C19H15FN4O3 — CID 67042342

IUPAC2-(4-fluorophenyl)-3-(3-oxopiperazin-1-yl)quinoxaline-6-carboxylic acid
SMILESO=C1CN(c2nc3cc(C(=O)O)ccc3nc2-c2ccc(F)cc2)CCN1
InChIInChI=1S/C19H15FN4O3/c20-13-4-1-11(2-5-13)17-18(24-8-7-21-16(25)10-24)23-15-9-12(19(26)27)3-6-14(15)22-17/h1-6,9H,7-8,10H2,(H,21,25)(H,26,27)
InChIKeyJSWQYEUTVFKVSA-UHFFFAOYSA-N
MW366.35 g/mol
LogP2.07
Rot. Bonds3

About 2-(4-fluorophenyl)-3-(3-oxopiperazin-1-yl)quinoxaline-6-carboxylic acid

2-(4-fluorophenyl)-3-(3-oxopiperazin-1-yl)quinoxaline-6-carboxylic acid (PubChem CID 67042342) has the molecular formula C19H15FN4O3 and a molecular weight of 366.35 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-(3-oxopiperazin-1-yl)quinoxaline-6-carboxylic acid.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-(3-oxopiperazin-1-yl)quinoxaline-6-carboxylic acid
PubChem CID67042342
Molecular FormulaC19H15FN4O3
Molecular Weight366.35 g/mol
Exact Mass366.11
IUPAC Name2-(4-fluorophenyl)-3-(3-oxopiperazin-1-yl)quinoxaline-6-carboxylic acid
SMILESO=C1CN(c2nc3cc(C(=O)O)ccc3nc2-c2ccc(F)cc2)CCN1
InChIInChI=1S/C19H15FN4O3/c20-13-4-1-11(2-5-13)17-18(24-8-7-21-16(25)10-24)23-15-9-12(19(26)27)3-6-14(15)22-17/h1-6,9H,7-8,10H2,(H,21,25)(H,26,27)
InChIKeyJSWQYEUTVFKVSA-UHFFFAOYSA-N
XLogP2.07
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.35
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-(3-oxopiperazin-1-yl)quinoxaline-6-carboxylic acid?
The IUPAC name of 2-(4-fluorophenyl)-3-(3-oxopiperazin-1-yl)quinoxaline-6-carboxylic acid (CID 67042342) is 2-(4-fluorophenyl)-3-(3-oxopiperazin-1-yl)quinoxaline-6-carboxylic acid.
What is the SMILES notation for 2-(4-fluorophenyl)-3-(3-oxopiperazin-1-yl)quinoxaline-6-carboxylic acid?
The canonical SMILES for 2-(4-fluorophenyl)-3-(3-oxopiperazin-1-yl)quinoxaline-6-carboxylic acid is O=C1CN(c2nc3cc(C(=O)O)ccc3nc2-c2ccc(F)cc2)CCN1.
What is the InChIKey of 2-(4-fluorophenyl)-3-(3-oxopiperazin-1-yl)quinoxaline-6-carboxylic acid?
The InChIKey is JSWQYEUTVFKVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O3/c20-13-4-1-11(2-5-13)17-18(24-8-7-21-16(25)10-24)23-15-9-12(19(26)27)3-6-14(15)22-17/h1-6,9H,7-8,10H2,(H,21,25)(H,26,27).
What are the key properties of 2-(4-fluorophenyl)-3-(3-oxopiperazin-1-yl)quinoxaline-6-carboxylic acid?
2-(4-fluorophenyl)-3-(3-oxopiperazin-1-yl)quinoxaline-6-carboxylic acid has a molecular weight of 366.35 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-(3-oxopiperazin-1-yl)quinoxaline-6-carboxylic acid is sourced from PubChem (CID 67042342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).