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

C21H12F2N4O4 — CID 78319371

IUPAC5-[[3-(2,4-difluorophenoxy)quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(NC(=O)c2nc3ccccc3nc2Oc2ccc(F)cc2F)cn1
InChIInChI=1S/C21H12F2N4O4/c22-11-5-8-17(13(23)9-11)31-20-18(26-14-3-1-2-4-15(14)27-20)19(28)25-12-6-7-16(21(29)30)24-10-12/h1-10H,(H,25,28)(H,29,30)
InChIKeyLSGILDURLDUSRG-UHFFFAOYSA-N
MW422.35 g/mol
LogP4.05
Rot. Bonds5

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

5-[[3-(2,4-difluorophenoxy)quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid (PubChem CID 78319371) has the molecular formula C21H12F2N4O4 and a molecular weight of 422.35 g/mol. Its IUPAC name is 5-[[3-(2,4-difluorophenoxy)quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[3-(2,4-difluorophenoxy)quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid
PubChem CID78319371
Molecular FormulaC21H12F2N4O4
Molecular Weight422.35 g/mol
Exact Mass422.08
IUPAC Name5-[[3-(2,4-difluorophenoxy)quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(NC(=O)c2nc3ccccc3nc2Oc2ccc(F)cc2F)cn1
InChIInChI=1S/C21H12F2N4O4/c22-11-5-8-17(13(23)9-11)31-20-18(26-14-3-1-2-4-15(14)27-20)19(28)25-12-6-7-16(21(29)30)24-10-12/h1-10H,(H,25,28)(H,29,30)
InChIKeyLSGILDURLDUSRG-UHFFFAOYSA-N
XLogP4.05
TPSA114.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.35
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-(2,4-difluorophenoxy)quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid?
The IUPAC name of 5-[[3-(2,4-difluorophenoxy)quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid (CID 78319371) is 5-[[3-(2,4-difluorophenoxy)quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[[3-(2,4-difluorophenoxy)quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[[3-(2,4-difluorophenoxy)quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid is O=C(O)c1ccc(NC(=O)c2nc3ccccc3nc2Oc2ccc(F)cc2F)cn1.
What is the InChIKey of 5-[[3-(2,4-difluorophenoxy)quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid?
The InChIKey is LSGILDURLDUSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12F2N4O4/c22-11-5-8-17(13(23)9-11)31-20-18(26-14-3-1-2-4-15(14)27-20)19(28)25-12-6-7-16(21(29)30)24-10-12/h1-10H,(H,25,28)(H,29,30).
What are the key properties of 5-[[3-(2,4-difluorophenoxy)quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid?
5-[[3-(2,4-difluorophenoxy)quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid has a molecular weight of 422.35 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(2,4-difluorophenoxy)quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 78319371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).