8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-pyridin-2-ylquinoxaline-5-carboxamide

C22H16F2N4O3 — CID 44517258

IUPAC8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-pyridin-2-ylquinoxaline-5-carboxamide
SMILESCOc1cc(OC)c(F)c(-c2ccc(C(=O)Nc3ccccn3)c3nccnc23)c1F
InChIInChI=1S/C22H16F2N4O3/c1-30-14-11-15(31-2)19(24)17(18(14)23)12-6-7-13(21-20(12)26-9-10-27-21)22(29)28-16-5-3-4-8-25-16/h3-11H,1-2H3,(H,25,28,29)
InChIKeyWRJQESMYYXWRAN-UHFFFAOYSA-N
MW422.39 g/mol
LogP4.24
Rot. Bonds5

About 8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-pyridin-2-ylquinoxaline-5-carboxamide

8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-pyridin-2-ylquinoxaline-5-carboxamide (PubChem CID 44517258) has the molecular formula C22H16F2N4O3 and a molecular weight of 422.39 g/mol. Its IUPAC name is 8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-pyridin-2-ylquinoxaline-5-carboxamide.

Molecular Properties

Compound Name8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-pyridin-2-ylquinoxaline-5-carboxamide
PubChem CID44517258
Molecular FormulaC22H16F2N4O3
Molecular Weight422.39 g/mol
Exact Mass422.12
IUPAC Name8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-pyridin-2-ylquinoxaline-5-carboxamide
SMILESCOc1cc(OC)c(F)c(-c2ccc(C(=O)Nc3ccccn3)c3nccnc23)c1F
InChIInChI=1S/C22H16F2N4O3/c1-30-14-11-15(31-2)19(24)17(18(14)23)12-6-7-13(21-20(12)26-9-10-27-21)22(29)28-16-5-3-4-8-25-16/h3-11H,1-2H3,(H,25,28,29)
InChIKeyWRJQESMYYXWRAN-UHFFFAOYSA-N
XLogP4.24
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.39
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-pyridin-2-ylquinoxaline-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-pyridin-2-ylquinoxaline-5-carboxamide?
The IUPAC name of 8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-pyridin-2-ylquinoxaline-5-carboxamide (CID 44517258) is 8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-pyridin-2-ylquinoxaline-5-carboxamide.
What is the SMILES notation for 8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-pyridin-2-ylquinoxaline-5-carboxamide?
The canonical SMILES for 8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-pyridin-2-ylquinoxaline-5-carboxamide is COc1cc(OC)c(F)c(-c2ccc(C(=O)Nc3ccccn3)c3nccnc23)c1F.
What is the InChIKey of 8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-pyridin-2-ylquinoxaline-5-carboxamide?
The InChIKey is WRJQESMYYXWRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F2N4O3/c1-30-14-11-15(31-2)19(24)17(18(14)23)12-6-7-13(21-20(12)26-9-10-27-21)22(29)28-16-5-3-4-8-25-16/h3-11H,1-2H3,(H,25,28,29).
What are the key properties of 8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-pyridin-2-ylquinoxaline-5-carboxamide?
8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-pyridin-2-ylquinoxaline-5-carboxamide has a molecular weight of 422.39 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-pyridin-2-ylquinoxaline-5-carboxamide is sourced from PubChem (CID 44517258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).