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

C22H13F3N4O5 — CID 78319396

IUPAC4-[[3-[4-(trifluoromethoxy)phenoxy]quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(NC(=O)c2nc3ccccc3nc2Oc2ccc(OC(F)(F)F)cc2)ccn1
InChIInChI=1S/C22H13F3N4O5/c23-22(24,25)34-14-7-5-13(6-8-14)33-20-18(28-15-3-1-2-4-16(15)29-20)19(30)27-12-9-10-26-17(11-12)21(31)32/h1-11H,(H,31,32)(H,26,27,30)
InChIKeyDCHDLGZFPXNKKS-UHFFFAOYSA-N
MW470.36 g/mol
LogP4.67
Rot. Bonds6

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

4-[[3-[4-(trifluoromethoxy)phenoxy]quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid (PubChem CID 78319396) has the molecular formula C22H13F3N4O5 and a molecular weight of 470.36 g/mol. Its IUPAC name is 4-[[3-[4-(trifluoromethoxy)phenoxy]quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[[3-[4-(trifluoromethoxy)phenoxy]quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid
PubChem CID78319396
Molecular FormulaC22H13F3N4O5
Molecular Weight470.36 g/mol
Exact Mass470.08
IUPAC Name4-[[3-[4-(trifluoromethoxy)phenoxy]quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(NC(=O)c2nc3ccccc3nc2Oc2ccc(OC(F)(F)F)cc2)ccn1
InChIInChI=1S/C22H13F3N4O5/c23-22(24,25)34-14-7-5-13(6-8-14)33-20-18(28-15-3-1-2-4-16(15)29-20)19(30)27-12-9-10-26-17(11-12)21(31)32/h1-11H,(H,31,32)(H,26,27,30)
InChIKeyDCHDLGZFPXNKKS-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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Frequently Asked Questions

What is the IUPAC name of 4-[[3-[4-(trifluoromethoxy)phenoxy]quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid?
The IUPAC name of 4-[[3-[4-(trifluoromethoxy)phenoxy]quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid (CID 78319396) is 4-[[3-[4-(trifluoromethoxy)phenoxy]quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[[3-[4-(trifluoromethoxy)phenoxy]quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[[3-[4-(trifluoromethoxy)phenoxy]quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid is O=C(O)c1cc(NC(=O)c2nc3ccccc3nc2Oc2ccc(OC(F)(F)F)cc2)ccn1.
What is the InChIKey of 4-[[3-[4-(trifluoromethoxy)phenoxy]quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid?
The InChIKey is DCHDLGZFPXNKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13F3N4O5/c23-22(24,25)34-14-7-5-13(6-8-14)33-20-18(28-15-3-1-2-4-16(15)29-20)19(30)27-12-9-10-26-17(11-12)21(31)32/h1-11H,(H,31,32)(H,26,27,30).
What are the key properties of 4-[[3-[4-(trifluoromethoxy)phenoxy]quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid?
4-[[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 4-[[3-[4-(trifluoromethoxy)phenoxy]quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 78319396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).