4-[[3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid

C22H15FN4O5 — CID 78319397

IUPAC4-[[3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid
SMILESCOc1cc(F)ccc1Oc1nc2ccccc2nc1C(=O)Nc1ccnc(C(=O)O)c1
InChIInChI=1S/C22H15FN4O5/c1-31-18-10-12(23)6-7-17(18)32-21-19(26-14-4-2-3-5-15(14)27-21)20(28)25-13-8-9-24-16(11-13)22(29)30/h2-11H,1H3,(H,29,30)(H,24,25,28)
InChIKeyOYYIMJLKDSFITO-UHFFFAOYSA-N
MW434.38 g/mol
LogP3.92
Rot. Bonds6

About 4-[[3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid

4-[[3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid (PubChem CID 78319397) has the molecular formula C22H15FN4O5 and a molecular weight of 434.38 g/mol. Its IUPAC name is 4-[[3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[[3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid
PubChem CID78319397
Molecular FormulaC22H15FN4O5
Molecular Weight434.38 g/mol
Exact Mass434.10
IUPAC Name4-[[3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid
SMILESCOc1cc(F)ccc1Oc1nc2ccccc2nc1C(=O)Nc1ccnc(C(=O)O)c1
InChIInChI=1S/C22H15FN4O5/c1-31-18-10-12(23)6-7-17(18)32-21-19(26-14-4-2-3-5-15(14)27-21)20(28)25-13-8-9-24-16(11-13)22(29)30/h2-11H,1H3,(H,29,30)(H,24,25,28)
InChIKeyOYYIMJLKDSFITO-UHFFFAOYSA-N
XLogP3.92
TPSA123.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.38
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid?
The IUPAC name of 4-[[3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid (CID 78319397) is 4-[[3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[[3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[[3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid is COc1cc(F)ccc1Oc1nc2ccccc2nc1C(=O)Nc1ccnc(C(=O)O)c1.
What is the InChIKey of 4-[[3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid?
The InChIKey is OYYIMJLKDSFITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15FN4O5/c1-31-18-10-12(23)6-7-17(18)32-21-19(26-14-4-2-3-5-15(14)27-21)20(28)25-13-8-9-24-16(11-13)22(29)30/h2-11H,1H3,(H,29,30)(H,24,25,28).
What are the key properties of 4-[[3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid?
4-[[3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid has a molecular weight of 434.38 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 78319397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).