3-(2-bromo-4-chlorophenoxy)quinoxalin-2-amine

C14H9BrClN3O — CID 102987884

IUPAC3-(2-bromo-4-chlorophenoxy)quinoxalin-2-amine
SMILESNc1nc2ccccc2nc1Oc1ccc(Cl)cc1Br
InChIInChI=1S/C14H9BrClN3O/c15-9-7-8(16)5-6-12(9)20-14-13(17)18-10-3-1-2-4-11(10)19-14/h1-7H,(H2,17,18)
InChIKeyZRHWPJSQOQSRTN-UHFFFAOYSA-N
MW350.60 g/mol
LogP4.42
Rot. Bonds2

About 3-(2-bromo-4-chlorophenoxy)quinoxalin-2-amine

3-(2-bromo-4-chlorophenoxy)quinoxalin-2-amine (PubChem CID 102987884) has the molecular formula C14H9BrClN3O and a molecular weight of 350.60 g/mol. Its IUPAC name is 3-(2-bromo-4-chlorophenoxy)quinoxalin-2-amine.

Molecular Properties

Compound Name3-(2-bromo-4-chlorophenoxy)quinoxalin-2-amine
PubChem CID102987884
Molecular FormulaC14H9BrClN3O
Molecular Weight350.60 g/mol
Exact Mass348.96
IUPAC Name3-(2-bromo-4-chlorophenoxy)quinoxalin-2-amine
SMILESNc1nc2ccccc2nc1Oc1ccc(Cl)cc1Br
InChIInChI=1S/C14H9BrClN3O/c15-9-7-8(16)5-6-12(9)20-14-13(17)18-10-3-1-2-4-11(10)19-14/h1-7H,(H2,17,18)
InChIKeyZRHWPJSQOQSRTN-UHFFFAOYSA-N
XLogP4.42
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.60
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-bromo-4-chlorophenoxy)-N-methylquinazolin-2-amine
CID 80874178
6-(2-bromo-4-chlorophenoxy)-5-chloropyridin-3-amine
CID 114046372
4-(2-bromo-4-chlorophenoxy)-5-fluoropyrimidin-2-amine
CID 80881127
[4-(2-bromo-4-chlorophenoxy)quinolin-2-yl]methanamine
CID 63377591
2-(2-bromo-4-chlorophenoxy)-5-methylaniline
CID 43349571
3-(2-bromo-4-chlorophenoxy)-1-methylpyrazol-4-amine
CID 103079063
5-bromo-2-(2-bromo-4-chlorophenoxy)aniline
CID 29302429
4-(3-aminoquinoxalin-2-yl)oxy-3-fluorobenzonitrile
CID 107669541
2-bromo-4-chloro-1-(2-chlorophenoxy)benzene
CID 169336335
4-(2-bromo-4-chlorophenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103331934
[2-(2-bromo-4-chlorophenoxy)-3-pyridinyl]methanamine
CID 43528666
3-(3-bromo-5-fluorophenoxy)quinoxalin-2-amine
CID 102988317

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-4-chlorophenoxy)quinoxalin-2-amine?
The IUPAC name of 3-(2-bromo-4-chlorophenoxy)quinoxalin-2-amine (CID 102987884) is 3-(2-bromo-4-chlorophenoxy)quinoxalin-2-amine.
What is the SMILES notation for 3-(2-bromo-4-chlorophenoxy)quinoxalin-2-amine?
The canonical SMILES for 3-(2-bromo-4-chlorophenoxy)quinoxalin-2-amine is Nc1nc2ccccc2nc1Oc1ccc(Cl)cc1Br.
What is the InChIKey of 3-(2-bromo-4-chlorophenoxy)quinoxalin-2-amine?
The InChIKey is ZRHWPJSQOQSRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClN3O/c15-9-7-8(16)5-6-12(9)20-14-13(17)18-10-3-1-2-4-11(10)19-14/h1-7H,(H2,17,18).
What are the key properties of 3-(2-bromo-4-chlorophenoxy)quinoxalin-2-amine?
3-(2-bromo-4-chlorophenoxy)quinoxalin-2-amine has a molecular weight of 350.60 g/mol, XLogP of 4.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-4-chlorophenoxy)quinoxalin-2-amine is sourced from PubChem (CID 102987884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).