3-(4-fluoro-2-methoxyphenoxy)-N-pyridin-4-ylquinoxaline-2-carboxamide

C21H15FN4O3 — CID 78319495

IUPAC3-(4-fluoro-2-methoxyphenoxy)-N-pyridin-4-ylquinoxaline-2-carboxamide
SMILESCOc1cc(F)ccc1Oc1nc2ccccc2nc1C(=O)Nc1ccncc1
InChIInChI=1S/C21H15FN4O3/c1-28-18-12-13(22)6-7-17(18)29-21-19(20(27)24-14-8-10-23-11-9-14)25-15-4-2-3-5-16(15)26-21/h2-12H,1H3,(H,23,24,27)
InChIKeyNOJMHRQZJGGCQT-UHFFFAOYSA-N
MW390.37 g/mol
LogP4.22
Rot. Bonds5

About 3-(4-fluoro-2-methoxyphenoxy)-N-pyridin-4-ylquinoxaline-2-carboxamide

3-(4-fluoro-2-methoxyphenoxy)-N-pyridin-4-ylquinoxaline-2-carboxamide (PubChem CID 78319495) has the molecular formula C21H15FN4O3 and a molecular weight of 390.37 g/mol. Its IUPAC name is 3-(4-fluoro-2-methoxyphenoxy)-N-pyridin-4-ylquinoxaline-2-carboxamide.

Molecular Properties

Compound Name3-(4-fluoro-2-methoxyphenoxy)-N-pyridin-4-ylquinoxaline-2-carboxamide
PubChem CID78319495
Molecular FormulaC21H15FN4O3
Molecular Weight390.37 g/mol
Exact Mass390.11
IUPAC Name3-(4-fluoro-2-methoxyphenoxy)-N-pyridin-4-ylquinoxaline-2-carboxamide
SMILESCOc1cc(F)ccc1Oc1nc2ccccc2nc1C(=O)Nc1ccncc1
InChIInChI=1S/C21H15FN4O3/c1-28-18-12-13(22)6-7-17(18)29-21-19(20(27)24-14-8-10-23-11-9-14)25-15-4-2-3-5-16(15)26-21/h2-12H,1H3,(H,23,24,27)
InChIKeyNOJMHRQZJGGCQT-UHFFFAOYSA-N
XLogP4.22
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.37
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-2-methoxyphenoxy)-N-pyridin-4-ylquinoxaline-2-carboxamide?
The IUPAC name of 3-(4-fluoro-2-methoxyphenoxy)-N-pyridin-4-ylquinoxaline-2-carboxamide (CID 78319495) is 3-(4-fluoro-2-methoxyphenoxy)-N-pyridin-4-ylquinoxaline-2-carboxamide.
What is the SMILES notation for 3-(4-fluoro-2-methoxyphenoxy)-N-pyridin-4-ylquinoxaline-2-carboxamide?
The canonical SMILES for 3-(4-fluoro-2-methoxyphenoxy)-N-pyridin-4-ylquinoxaline-2-carboxamide is COc1cc(F)ccc1Oc1nc2ccccc2nc1C(=O)Nc1ccncc1.
What is the InChIKey of 3-(4-fluoro-2-methoxyphenoxy)-N-pyridin-4-ylquinoxaline-2-carboxamide?
The InChIKey is NOJMHRQZJGGCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN4O3/c1-28-18-12-13(22)6-7-17(18)29-21-19(20(27)24-14-8-10-23-11-9-14)25-15-4-2-3-5-16(15)26-21/h2-12H,1H3,(H,23,24,27).
What are the key properties of 3-(4-fluoro-2-methoxyphenoxy)-N-pyridin-4-ylquinoxaline-2-carboxamide?
3-(4-fluoro-2-methoxyphenoxy)-N-pyridin-4-ylquinoxaline-2-carboxamide has a molecular weight of 390.37 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-2-methoxyphenoxy)-N-pyridin-4-ylquinoxaline-2-carboxamide is sourced from PubChem (CID 78319495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).