8-(2-fluoro-3,5-dimethoxyphenyl)quinoxaline-5-carbonitrile

C17H12FN3O2 — CID 59292917

IUPAC8-(2-fluoro-3,5-dimethoxyphenyl)quinoxaline-5-carbonitrile
SMILESCOc1cc(OC)c(F)c(-c2ccc(C#N)c3nccnc23)c1
InChIInChI=1S/C17H12FN3O2/c1-22-11-7-13(15(18)14(8-11)23-2)12-4-3-10(9-19)16-17(12)21-6-5-20-16/h3-8H,1-2H3
InChIKeyAEQCWLUOIFDOCG-UHFFFAOYSA-N
MW309.30 g/mol
LogP3.32
Rot. Bonds3

About 8-(2-fluoro-3,5-dimethoxyphenyl)quinoxaline-5-carbonitrile

8-(2-fluoro-3,5-dimethoxyphenyl)quinoxaline-5-carbonitrile (PubChem CID 59292917) has the molecular formula C17H12FN3O2 and a molecular weight of 309.30 g/mol. Its IUPAC name is 8-(2-fluoro-3,5-dimethoxyphenyl)quinoxaline-5-carbonitrile.

Molecular Properties

Compound Name8-(2-fluoro-3,5-dimethoxyphenyl)quinoxaline-5-carbonitrile
PubChem CID59292917
Molecular FormulaC17H12FN3O2
Molecular Weight309.30 g/mol
Exact Mass309.09
IUPAC Name8-(2-fluoro-3,5-dimethoxyphenyl)quinoxaline-5-carbonitrile
SMILESCOc1cc(OC)c(F)c(-c2ccc(C#N)c3nccnc23)c1
InChIInChI=1S/C17H12FN3O2/c1-22-11-7-13(15(18)14(8-11)23-2)12-4-3-10(9-19)16-17(12)21-6-5-20-16/h3-8H,1-2H3
InChIKeyAEQCWLUOIFDOCG-UHFFFAOYSA-N
XLogP3.32
TPSA68.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.30
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-(3-methoxy-5-methylphenyl)quinoxaline-5-carbonitrile
CID 71100257
8-(3,5-dimethoxyphenyl)-2-methylquinoxaline-5-carbonitrile
CID 59292871
2-chloro-8-(3-methoxy-5-methylphenyl)quinoxaline-5-carbonitrile;ethane
CID 143896348
4-[(3,4-dimethoxy-2-pyridinyl)methoxy]-2-fluorobenzonitrile
CID 103174663
2-fluoro-3-iodo-4-methoxybenzonitrile
CID 131285926
5-methoxy-2-pyrimidin-2-ylbenzonitrile
CID 121010677
4-methoxy-2-[(2-methyl-3-pyridinyl)oxy]benzonitrile
CID 81306225
2-chloro-4-(2,5-dimethoxyphenyl)pyridine-3-carbonitrile
CID 94283491
4-(2-fluoro-3,5-dimethoxyphenyl)-1H-pyrazol-5-amine
CID 117346174
6,8-dimethoxyisoquinoline-4-carbonitrile
CID 57440605
2-fluoro-5-iodo-3-methoxybenzonitrile
CID 131285030
6-(2,4-dimethoxyphenyl)-2-(methylamino)pyridine-3-carbonitrile
CID 62196138

Frequently Asked Questions

What is the IUPAC name of 8-(2-fluoro-3,5-dimethoxyphenyl)quinoxaline-5-carbonitrile?
The IUPAC name of 8-(2-fluoro-3,5-dimethoxyphenyl)quinoxaline-5-carbonitrile (CID 59292917) is 8-(2-fluoro-3,5-dimethoxyphenyl)quinoxaline-5-carbonitrile.
What is the SMILES notation for 8-(2-fluoro-3,5-dimethoxyphenyl)quinoxaline-5-carbonitrile?
The canonical SMILES for 8-(2-fluoro-3,5-dimethoxyphenyl)quinoxaline-5-carbonitrile is COc1cc(OC)c(F)c(-c2ccc(C#N)c3nccnc23)c1.
What is the InChIKey of 8-(2-fluoro-3,5-dimethoxyphenyl)quinoxaline-5-carbonitrile?
The InChIKey is AEQCWLUOIFDOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN3O2/c1-22-11-7-13(15(18)14(8-11)23-2)12-4-3-10(9-19)16-17(12)21-6-5-20-16/h3-8H,1-2H3.
What are the key properties of 8-(2-fluoro-3,5-dimethoxyphenyl)quinoxaline-5-carbonitrile?
8-(2-fluoro-3,5-dimethoxyphenyl)quinoxaline-5-carbonitrile has a molecular weight of 309.30 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-fluoro-3,5-dimethoxyphenyl)quinoxaline-5-carbonitrile is sourced from PubChem (CID 59292917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).