5-[[3-(3-fluoro-4-methoxyphenoxy)quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid

C22H15FN4O5 — CID 78319369

IUPAC5-[[3-(3-fluoro-4-methoxyphenoxy)quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid
SMILESCOc1ccc(Oc2nc3ccccc3nc2C(=O)Nc2ccc(C(=O)O)nc2)cc1F
InChIInChI=1S/C22H15FN4O5/c1-31-18-9-7-13(10-14(18)23)32-21-19(26-15-4-2-3-5-16(15)27-21)20(28)25-12-6-8-17(22(29)30)24-11-12/h2-11H,1H3,(H,25,28)(H,29,30)
InChIKeyQNRTTZKSCQDAQB-UHFFFAOYSA-N
MW434.38 g/mol
LogP3.92
Rot. Bonds6

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

5-[[3-(3-fluoro-4-methoxyphenoxy)quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid (PubChem CID 78319369) has the molecular formula C22H15FN4O5 and a molecular weight of 434.38 g/mol. Its IUPAC name is 5-[[3-(3-fluoro-4-methoxyphenoxy)quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[3-(3-fluoro-4-methoxyphenoxy)quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid
PubChem CID78319369
Molecular FormulaC22H15FN4O5
Molecular Weight434.38 g/mol
Exact Mass434.10
IUPAC Name5-[[3-(3-fluoro-4-methoxyphenoxy)quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid
SMILESCOc1ccc(Oc2nc3ccccc3nc2C(=O)Nc2ccc(C(=O)O)nc2)cc1F
InChIInChI=1S/C22H15FN4O5/c1-31-18-9-7-13(10-14(18)23)32-21-19(26-15-4-2-3-5-16(15)27-21)20(28)25-12-6-8-17(22(29)30)24-11-12/h2-11H,1H3,(H,25,28)(H,29,30)
InChIKeyQNRTTZKSCQDAQB-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 5-[[3-(3-fluoro-4-methoxyphenoxy)quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid?
The IUPAC name of 5-[[3-(3-fluoro-4-methoxyphenoxy)quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid (CID 78319369) is 5-[[3-(3-fluoro-4-methoxyphenoxy)quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[[3-(3-fluoro-4-methoxyphenoxy)quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[[3-(3-fluoro-4-methoxyphenoxy)quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid is COc1ccc(Oc2nc3ccccc3nc2C(=O)Nc2ccc(C(=O)O)nc2)cc1F.
What is the InChIKey of 5-[[3-(3-fluoro-4-methoxyphenoxy)quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid?
The InChIKey is QNRTTZKSCQDAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15FN4O5/c1-31-18-9-7-13(10-14(18)23)32-21-19(26-15-4-2-3-5-16(15)27-21)20(28)25-12-6-8-17(22(29)30)24-11-12/h2-11H,1H3,(H,25,28)(H,29,30).
What are the key properties of 5-[[3-(3-fluoro-4-methoxyphenoxy)quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid?
5-[[3-(3-fluoro-4-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 5-[[3-(3-fluoro-4-methoxyphenoxy)quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 78319369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).