2-(2-bromo-4-methoxyphenoxy)-3-methylquinoxaline

C16H13BrN2O2 — CID 104707668

IUPAC2-(2-bromo-4-methoxyphenoxy)-3-methylquinoxaline
SMILESCOc1ccc(Oc2nc3ccccc3nc2C)c(Br)c1
InChIInChI=1S/C16H13BrN2O2/c1-10-16(19-14-6-4-3-5-13(14)18-10)21-15-8-7-11(20-2)9-12(15)17/h3-9H,1-2H3
InChIKeyGTTFJJRXOLRBGY-UHFFFAOYSA-N
MW345.20 g/mol
LogP4.50
Rot. Bonds3

About 2-(2-bromo-4-methoxyphenoxy)-3-methylquinoxaline

2-(2-bromo-4-methoxyphenoxy)-3-methylquinoxaline (PubChem CID 104707668) has the molecular formula C16H13BrN2O2 and a molecular weight of 345.20 g/mol. Its IUPAC name is 2-(2-bromo-4-methoxyphenoxy)-3-methylquinoxaline.

Molecular Properties

Compound Name2-(2-bromo-4-methoxyphenoxy)-3-methylquinoxaline
PubChem CID104707668
Molecular FormulaC16H13BrN2O2
Molecular Weight345.20 g/mol
Exact Mass344.02
IUPAC Name2-(2-bromo-4-methoxyphenoxy)-3-methylquinoxaline
SMILESCOc1ccc(Oc2nc3ccccc3nc2C)c(Br)c1
InChIInChI=1S/C16H13BrN2O2/c1-10-16(19-14-6-4-3-5-13(14)18-10)21-15-8-7-11(20-2)9-12(15)17/h3-9H,1-2H3
InChIKeyGTTFJJRXOLRBGY-UHFFFAOYSA-N
XLogP4.50
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.20
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-2-(3-methylquinoxalin-2-yl)oxyaniline
CID 62375214
2-(3-methoxyphenoxy)-3-methylquinoxaline
CID 39999926
4-(2-bromo-4-methoxyphenoxy)quinazolin-2-amine
CID 104708851
2-(2-bromo-4-methoxyphenoxy)-1,3-benzoxazole
CID 104707726
4-(2-bromo-4-methoxyphenoxy)-6-chloro-2,5-dimethylpyrimidine
CID 104707040
2-methyl-4-(3-methylquinoxalin-2-yl)oxyaniline
CID 62375215
3-fluoro-4-(3-methylquinoxalin-2-yl)oxyaniline
CID 62375219
4-(2-bromo-4-methoxyphenoxy)cinnoline
CID 104707553
2-(2,4-difluorophenoxy)-3-methylquinoxaline
CID 39999933
2-(2-bromo-4-methoxyphenoxy)-4-methylpyrimidine
CID 104707648
[2-(2-bromo-4-methoxyphenoxy)-6-methyl-3-pyridinyl]methanamine
CID 104706374
2-(2-bromo-4-methoxyphenoxy)-3-fluoropyridine
CID 104707654

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methoxyphenoxy)-3-methylquinoxaline?
The IUPAC name of 2-(2-bromo-4-methoxyphenoxy)-3-methylquinoxaline (CID 104707668) is 2-(2-bromo-4-methoxyphenoxy)-3-methylquinoxaline.
What is the SMILES notation for 2-(2-bromo-4-methoxyphenoxy)-3-methylquinoxaline?
The canonical SMILES for 2-(2-bromo-4-methoxyphenoxy)-3-methylquinoxaline is COc1ccc(Oc2nc3ccccc3nc2C)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-methoxyphenoxy)-3-methylquinoxaline?
The InChIKey is GTTFJJRXOLRBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O2/c1-10-16(19-14-6-4-3-5-13(14)18-10)21-15-8-7-11(20-2)9-12(15)17/h3-9H,1-2H3.
What are the key properties of 2-(2-bromo-4-methoxyphenoxy)-3-methylquinoxaline?
2-(2-bromo-4-methoxyphenoxy)-3-methylquinoxaline has a molecular weight of 345.20 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methoxyphenoxy)-3-methylquinoxaline is sourced from PubChem (CID 104707668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).