5-[[3-(4-fluorophenoxy)quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid

C21H13FN4O4 — CID 78319837

IUPAC5-[[3-(4-fluorophenoxy)quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(NC(=O)c2nc3ccccc3nc2Oc2ccc(F)cc2)cn1
InChIInChI=1S/C21H13FN4O4/c22-12-5-8-14(9-6-12)30-20-18(25-15-3-1-2-4-16(15)26-20)19(27)24-13-7-10-17(21(28)29)23-11-13/h1-11H,(H,24,27)(H,28,29)
InChIKeyBLUALGHEWJXSQI-UHFFFAOYSA-N
MW404.36 g/mol
LogP3.91
Rot. Bonds5

About 5-[[3-(4-fluorophenoxy)quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid

5-[[3-(4-fluorophenoxy)quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid (PubChem CID 78319837) has the molecular formula C21H13FN4O4 and a molecular weight of 404.36 g/mol. Its IUPAC name is 5-[[3-(4-fluorophenoxy)quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[3-(4-fluorophenoxy)quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid
PubChem CID78319837
Molecular FormulaC21H13FN4O4
Molecular Weight404.36 g/mol
Exact Mass404.09
IUPAC Name5-[[3-(4-fluorophenoxy)quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(NC(=O)c2nc3ccccc3nc2Oc2ccc(F)cc2)cn1
InChIInChI=1S/C21H13FN4O4/c22-12-5-8-14(9-6-12)30-20-18(25-15-3-1-2-4-16(15)26-20)19(27)24-13-7-10-17(21(28)29)23-11-13/h1-11H,(H,24,27)(H,28,29)
InChIKeyBLUALGHEWJXSQI-UHFFFAOYSA-N
XLogP3.91
TPSA114.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.36
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-(4-fluorophenoxy)quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid?
The IUPAC name of 5-[[3-(4-fluorophenoxy)quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid (CID 78319837) is 5-[[3-(4-fluorophenoxy)quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[[3-(4-fluorophenoxy)quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[[3-(4-fluorophenoxy)quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid is O=C(O)c1ccc(NC(=O)c2nc3ccccc3nc2Oc2ccc(F)cc2)cn1.
What is the InChIKey of 5-[[3-(4-fluorophenoxy)quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid?
The InChIKey is BLUALGHEWJXSQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13FN4O4/c22-12-5-8-14(9-6-12)30-20-18(25-15-3-1-2-4-16(15)26-20)19(27)24-13-7-10-17(21(28)29)23-11-13/h1-11H,(H,24,27)(H,28,29).
What are the key properties of 5-[[3-(4-fluorophenoxy)quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid?
5-[[3-(4-fluorophenoxy)quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid has a molecular weight of 404.36 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(4-fluorophenoxy)quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 78319837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).