3-(4-fluoro-2-methoxyphenoxy)-N-(1H-pyrazol-4-yl)quinoxaline-2-carboxamide

C19H14FN5O3 — CID 78319463

IUPAC3-(4-fluoro-2-methoxyphenoxy)-N-(1H-pyrazol-4-yl)quinoxaline-2-carboxamide
SMILESCOc1cc(F)ccc1Oc1nc2ccccc2nc1C(=O)Nc1cn[nH]c1
InChIInChI=1S/C19H14FN5O3/c1-27-16-8-11(20)6-7-15(16)28-19-17(18(26)23-12-9-21-22-10-12)24-13-4-2-3-5-14(13)25-19/h2-10H,1H3,(H,21,22)(H,23,26)
InChIKeyNJGOTZPJYIFDGU-UHFFFAOYSA-N
MW379.35 g/mol
LogP3.55
Rot. Bonds5

About 3-(4-fluoro-2-methoxyphenoxy)-N-(1H-pyrazol-4-yl)quinoxaline-2-carboxamide

3-(4-fluoro-2-methoxyphenoxy)-N-(1H-pyrazol-4-yl)quinoxaline-2-carboxamide (PubChem CID 78319463) has the molecular formula C19H14FN5O3 and a molecular weight of 379.35 g/mol. Its IUPAC name is 3-(4-fluoro-2-methoxyphenoxy)-N-(1H-pyrazol-4-yl)quinoxaline-2-carboxamide.

Molecular Properties

Compound Name3-(4-fluoro-2-methoxyphenoxy)-N-(1H-pyrazol-4-yl)quinoxaline-2-carboxamide
PubChem CID78319463
Molecular FormulaC19H14FN5O3
Molecular Weight379.35 g/mol
Exact Mass379.11
IUPAC Name3-(4-fluoro-2-methoxyphenoxy)-N-(1H-pyrazol-4-yl)quinoxaline-2-carboxamide
SMILESCOc1cc(F)ccc1Oc1nc2ccccc2nc1C(=O)Nc1cn[nH]c1
InChIInChI=1S/C19H14FN5O3/c1-27-16-8-11(20)6-7-15(16)28-19-17(18(26)23-12-9-21-22-10-12)24-13-4-2-3-5-14(13)25-19/h2-10H,1H3,(H,21,22)(H,23,26)
InChIKeyNJGOTZPJYIFDGU-UHFFFAOYSA-N
XLogP3.55
TPSA102.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.35
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-2-methoxyphenoxy)-N-(1H-pyrazol-4-yl)quinoxaline-2-carboxamide?
The IUPAC name of 3-(4-fluoro-2-methoxyphenoxy)-N-(1H-pyrazol-4-yl)quinoxaline-2-carboxamide (CID 78319463) is 3-(4-fluoro-2-methoxyphenoxy)-N-(1H-pyrazol-4-yl)quinoxaline-2-carboxamide.
What is the SMILES notation for 3-(4-fluoro-2-methoxyphenoxy)-N-(1H-pyrazol-4-yl)quinoxaline-2-carboxamide?
The canonical SMILES for 3-(4-fluoro-2-methoxyphenoxy)-N-(1H-pyrazol-4-yl)quinoxaline-2-carboxamide is COc1cc(F)ccc1Oc1nc2ccccc2nc1C(=O)Nc1cn[nH]c1.
What is the InChIKey of 3-(4-fluoro-2-methoxyphenoxy)-N-(1H-pyrazol-4-yl)quinoxaline-2-carboxamide?
The InChIKey is NJGOTZPJYIFDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN5O3/c1-27-16-8-11(20)6-7-15(16)28-19-17(18(26)23-12-9-21-22-10-12)24-13-4-2-3-5-14(13)25-19/h2-10H,1H3,(H,21,22)(H,23,26).
What are the key properties of 3-(4-fluoro-2-methoxyphenoxy)-N-(1H-pyrazol-4-yl)quinoxaline-2-carboxamide?
3-(4-fluoro-2-methoxyphenoxy)-N-(1H-pyrazol-4-yl)quinoxaline-2-carboxamide has a molecular weight of 379.35 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-2-methoxyphenoxy)-N-(1H-pyrazol-4-yl)quinoxaline-2-carboxamide is sourced from PubChem (CID 78319463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).