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

C22H13F3N4O5 — CID 78319394

IUPAC5-[[3-[4-(trifluoromethoxy)phenoxy]quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(NC(=O)c2nc3ccccc3nc2Oc2ccc(OC(F)(F)F)cc2)cn1
InChIInChI=1S/C22H13F3N4O5/c23-22(24,25)34-14-8-6-13(7-9-14)33-20-18(28-15-3-1-2-4-16(15)29-20)19(30)27-12-5-10-17(21(31)32)26-11-12/h1-11H,(H,27,30)(H,31,32)
InChIKeyMSBGVOJKIRXDSD-UHFFFAOYSA-N
MW470.36 g/mol
LogP4.67
Rot. Bonds6

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

5-[[3-[4-(trifluoromethoxy)phenoxy]quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid (PubChem CID 78319394) has the molecular formula C22H13F3N4O5 and a molecular weight of 470.36 g/mol. Its IUPAC name is 5-[[3-[4-(trifluoromethoxy)phenoxy]quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[3-[4-(trifluoromethoxy)phenoxy]quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid
PubChem CID78319394
Molecular FormulaC22H13F3N4O5
Molecular Weight470.36 g/mol
Exact Mass470.08
IUPAC Name5-[[3-[4-(trifluoromethoxy)phenoxy]quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(NC(=O)c2nc3ccccc3nc2Oc2ccc(OC(F)(F)F)cc2)cn1
InChIInChI=1S/C22H13F3N4O5/c23-22(24,25)34-14-8-6-13(7-9-14)33-20-18(28-15-3-1-2-4-16(15)29-20)19(30)27-12-5-10-17(21(31)32)26-11-12/h1-11H,(H,27,30)(H,31,32)
InChIKeyMSBGVOJKIRXDSD-UHFFFAOYSA-N
XLogP4.67
TPSA123.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.36
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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-[[3-[2-(difluoromethoxy)phenoxy]quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid
CID 78319873
5-[[3-(4-chloro-2-methoxyphenoxy)quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid
CID 78319872
N-(6-acetyl-3-pyridinyl)-3-[2-(difluoromethoxy)phenoxy]quinoxaline-2-carboxamide
CID 118375976
3-[[4-(trifluoromethoxy)phenyl]carbamoyl]pyrazine-2-carboxylic acid
CID 23633123
3-phenoxyquinoxaline-2-carboxylic acid
CID 13004258
3-phenoxy-N-(3-sulfamoylphenyl)quinoxaline-2-carboxamide
CID 78319832
N-[6-(dimethylamino)-3-pyridinyl]-4-(trifluoromethoxy)benzamide
CID 37350824
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
N-[3-(trifluoromethoxy)phenyl]quinoline-2-carboxamide
CID 38032613
5-[(3-aminopyridine-2-carbonyl)amino]pyridine-2-carboxylic acid
CID 104742707

Frequently Asked Questions

What is the IUPAC name of 5-[[3-[4-(trifluoromethoxy)phenoxy]quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid?
The IUPAC name of 5-[[3-[4-(trifluoromethoxy)phenoxy]quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid (CID 78319394) is 5-[[3-[4-(trifluoromethoxy)phenoxy]quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[[3-[4-(trifluoromethoxy)phenoxy]quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[[3-[4-(trifluoromethoxy)phenoxy]quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid is O=C(O)c1ccc(NC(=O)c2nc3ccccc3nc2Oc2ccc(OC(F)(F)F)cc2)cn1.
What is the InChIKey of 5-[[3-[4-(trifluoromethoxy)phenoxy]quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid?
The InChIKey is MSBGVOJKIRXDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13F3N4O5/c23-22(24,25)34-14-8-6-13(7-9-14)33-20-18(28-15-3-1-2-4-16(15)29-20)19(30)27-12-5-10-17(21(31)32)26-11-12/h1-11H,(H,27,30)(H,31,32).
What are the key properties of 5-[[3-[4-(trifluoromethoxy)phenoxy]quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid?
5-[[3-[4-(trifluoromethoxy)phenoxy]quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid has a molecular weight of 470.36 g/mol, XLogP of 4.67, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-[4-(trifluoromethoxy)phenoxy]quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 78319394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).