3-(3-aminoquinoxalin-2-yl)oxy-4-methylbenzonitrile

C16H12N4O — CID 107662427

IUPAC3-(3-aminoquinoxalin-2-yl)oxy-4-methylbenzonitrile
SMILESCc1ccc(C#N)cc1Oc1nc2ccccc2nc1N
InChIInChI=1S/C16H12N4O/c1-10-6-7-11(9-17)8-14(10)21-16-15(18)19-12-4-2-3-5-13(12)20-16/h2-8H,1H3,(H2,18,19)
InChIKeyOZVUOPHEKCTBRI-UHFFFAOYSA-N
MW276.30 g/mol
LogP3.18
Rot. Bonds2

About 3-(3-aminoquinoxalin-2-yl)oxy-4-methylbenzonitrile

3-(3-aminoquinoxalin-2-yl)oxy-4-methylbenzonitrile (PubChem CID 107662427) has the molecular formula C16H12N4O and a molecular weight of 276.30 g/mol. Its IUPAC name is 3-(3-aminoquinoxalin-2-yl)oxy-4-methylbenzonitrile.

Molecular Properties

Compound Name3-(3-aminoquinoxalin-2-yl)oxy-4-methylbenzonitrile
PubChem CID107662427
Molecular FormulaC16H12N4O
Molecular Weight276.30 g/mol
Exact Mass276.10
IUPAC Name3-(3-aminoquinoxalin-2-yl)oxy-4-methylbenzonitrile
SMILESCc1ccc(C#N)cc1Oc1nc2ccccc2nc1N
InChIInChI=1S/C16H12N4O/c1-10-6-7-11(9-17)8-14(10)21-16-15(18)19-12-4-2-3-5-13(12)20-16/h2-8H,1H3,(H2,18,19)
InChIKeyOZVUOPHEKCTBRI-UHFFFAOYSA-N
XLogP3.18
TPSA84.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-aminoquinoxalin-2-yl)oxy-3-fluorobenzonitrile
CID 107669541
4-methyl-3-pyrimidin-2-yloxybenzonitrile
CID 70098309
3-(2-fluoro-3-methylphenoxy)quinoxalin-2-amine
CID 107662445
3-(2-amino-4-bromophenoxy)-4-methylbenzonitrile
CID 107655195
3-(2-hydrazinyl-5-methylpyrimidin-4-yl)oxy-4-methylbenzonitrile
CID 107662868
3-aminooxy-4-methylbenzonitrile
CID 130500377
4-amino-3-(2,5-dimethylphenoxy)benzonitrile
CID 113444292
3-(5-amino-6-ethoxypyrimidin-4-yl)oxy-4-methylbenzonitrile
CID 107655267
3-(6-amino-2-propylpyrimidin-4-yl)oxy-4-methylbenzonitrile
CID 107662566
3-[2-(bromomethyl)phenoxy]-4-methylbenzonitrile
CID 107659206
3-(6-chloro-4,5-dimethylpyridazin-3-yl)oxy-4-methylbenzonitrile
CID 107657775
3-(8-aminoquinolin-5-yl)oxy-4-methylbenzonitrile
CID 107655230

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminoquinoxalin-2-yl)oxy-4-methylbenzonitrile?
The IUPAC name of 3-(3-aminoquinoxalin-2-yl)oxy-4-methylbenzonitrile (CID 107662427) is 3-(3-aminoquinoxalin-2-yl)oxy-4-methylbenzonitrile.
What is the SMILES notation for 3-(3-aminoquinoxalin-2-yl)oxy-4-methylbenzonitrile?
The canonical SMILES for 3-(3-aminoquinoxalin-2-yl)oxy-4-methylbenzonitrile is Cc1ccc(C#N)cc1Oc1nc2ccccc2nc1N.
What is the InChIKey of 3-(3-aminoquinoxalin-2-yl)oxy-4-methylbenzonitrile?
The InChIKey is OZVUOPHEKCTBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O/c1-10-6-7-11(9-17)8-14(10)21-16-15(18)19-12-4-2-3-5-13(12)20-16/h2-8H,1H3,(H2,18,19).
What are the key properties of 3-(3-aminoquinoxalin-2-yl)oxy-4-methylbenzonitrile?
3-(3-aminoquinoxalin-2-yl)oxy-4-methylbenzonitrile has a molecular weight of 276.30 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminoquinoxalin-2-yl)oxy-4-methylbenzonitrile is sourced from PubChem (CID 107662427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).