5-[[3-[2-(difluoromethoxy)phenoxy]quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid

C22H14F2N4O5 — CID 78319873

IUPAC5-[[3-[2-(difluoromethoxy)phenoxy]quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(NC(=O)c2nc3ccccc3nc2Oc2ccccc2OC(F)F)cn1
InChIInChI=1S/C22H14F2N4O5/c23-22(24)33-17-8-4-3-7-16(17)32-20-18(27-13-5-1-2-6-14(13)28-20)19(29)26-12-9-10-15(21(30)31)25-11-12/h1-11,22H,(H,26,29)(H,30,31)
InChIKeyUDRDVAZHBPBNIE-UHFFFAOYSA-N
MW452.37 g/mol
LogP4.37
Rot. Bonds7

About 5-[[3-[2-(difluoromethoxy)phenoxy]quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid

5-[[3-[2-(difluoromethoxy)phenoxy]quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid (PubChem CID 78319873) has the molecular formula C22H14F2N4O5 and a molecular weight of 452.37 g/mol. Its IUPAC name is 5-[[3-[2-(difluoromethoxy)phenoxy]quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[3-[2-(difluoromethoxy)phenoxy]quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid
PubChem CID78319873
Molecular FormulaC22H14F2N4O5
Molecular Weight452.37 g/mol
Exact Mass452.09
IUPAC Name5-[[3-[2-(difluoromethoxy)phenoxy]quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(NC(=O)c2nc3ccccc3nc2Oc2ccccc2OC(F)F)cn1
InChIInChI=1S/C22H14F2N4O5/c23-22(24)33-17-8-4-3-7-16(17)32-20-18(27-13-5-1-2-6-14(13)28-20)19(29)26-12-9-10-15(21(30)31)25-11-12/h1-11,22H,(H,26,29)(H,30,31)
InChIKeyUDRDVAZHBPBNIE-UHFFFAOYSA-N
XLogP4.37
TPSA123.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.37
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(6-acetyl-3-pyridinyl)-3-[2-(difluoromethoxy)phenoxy]quinoxaline-2-carboxamide
CID 118375976
N-(6-acetyl-3-pyridinyl)-3-(4-chloro-2-methoxyphenoxy)quinoxaline-2-carboxamide;N-(6-acetyl-3-pyridinyl)-3-(4-chloro-2-methylphenoxy)quinoxaline-2-carboxamide;N-(6-acetyl-3-pyridinyl)-3-[2-(difluoromethoxy)phenoxy]quinoxaline-2-carboxamide
CID 158985941
5-[[3-(4-chloro-2-methoxyphenoxy)quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid
CID 78319872
5-[[3-[4-(trifluoromethoxy)phenoxy]quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid
CID 78319394
5-[[3-[4-(2,2,2-trifluoroethoxy)phenoxy]quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid
CID 78319871
N-(6-methyl-3-pyridinyl)-3-[4-(trifluoromethoxy)phenoxy]quinoxaline-2-carboxamide
CID 150985773
5-acetamidopyridine-2-carboxylic acid
CID 5278292
5-[[1-(2,2-difluoroethyl)pyrrole-2-carbonyl]amino]pyridine-2-carboxylic acid
CID 114609053
5-[(3-aminopyridine-2-carbonyl)amino]pyridine-2-carboxylic acid
CID 104742707
N-(4-bromo-3-methylphenyl)-3-methoxyquinoxaline-2-carboxamide
CID 50780732
3-(2-chloro-4-fluorophenoxy)-N-[3-chloro-4-(fluorosulfamoyl)phenyl]quinoxaline-2-carboxamide
CID 118522061
5-[(4-hydroxy-2-methylbenzoyl)amino]pyridine-2-carboxylic acid
CID 107670888

Frequently Asked Questions

What is the IUPAC name of 5-[[3-[2-(difluoromethoxy)phenoxy]quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid?
The IUPAC name of 5-[[3-[2-(difluoromethoxy)phenoxy]quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid (CID 78319873) is 5-[[3-[2-(difluoromethoxy)phenoxy]quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[[3-[2-(difluoromethoxy)phenoxy]quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[[3-[2-(difluoromethoxy)phenoxy]quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid is O=C(O)c1ccc(NC(=O)c2nc3ccccc3nc2Oc2ccccc2OC(F)F)cn1.
What is the InChIKey of 5-[[3-[2-(difluoromethoxy)phenoxy]quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid?
The InChIKey is UDRDVAZHBPBNIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F2N4O5/c23-22(24)33-17-8-4-3-7-16(17)32-20-18(27-13-5-1-2-6-14(13)28-20)19(29)26-12-9-10-15(21(30)31)25-11-12/h1-11,22H,(H,26,29)(H,30,31).
What are the key properties of 5-[[3-[2-(difluoromethoxy)phenoxy]quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid?
5-[[3-[2-(difluoromethoxy)phenoxy]quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid has a molecular weight of 452.37 g/mol, XLogP of 4.37, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-[2-(difluoromethoxy)phenoxy]quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 78319873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).