5-bromo-2-(methoxymethyl)-1,2,3,4-tetrahydroquinoxaline

C10H13BrN2O — CID 130577854

IUPAC5-bromo-2-(methoxymethyl)-1,2,3,4-tetrahydroquinoxaline
SMILESCOCC1CNc2c(Br)cccc2N1
InChIInChI=1S/C10H13BrN2O/c1-14-6-7-5-12-10-8(11)3-2-4-9(10)13-7/h2-4,7,12-13H,5-6H2,1H3
InChIKeyWEAARZRYDSFCKF-UHFFFAOYSA-N
MW257.13 g/mol
LogP2.30
Rot. Bonds2

About 5-bromo-2-(methoxymethyl)-1,2,3,4-tetrahydroquinoxaline

5-bromo-2-(methoxymethyl)-1,2,3,4-tetrahydroquinoxaline (PubChem CID 130577854) has the molecular formula C10H13BrN2O and a molecular weight of 257.13 g/mol. Its IUPAC name is 5-bromo-2-(methoxymethyl)-1,2,3,4-tetrahydroquinoxaline.

Molecular Properties

Compound Name5-bromo-2-(methoxymethyl)-1,2,3,4-tetrahydroquinoxaline
PubChem CID130577854
Molecular FormulaC10H13BrN2O
Molecular Weight257.13 g/mol
Exact Mass256.02
IUPAC Name5-bromo-2-(methoxymethyl)-1,2,3,4-tetrahydroquinoxaline
SMILESCOCC1CNc2c(Br)cccc2N1
InChIInChI=1S/C10H13BrN2O/c1-14-6-7-5-12-10-8(11)3-2-4-9(10)13-7/h2-4,7,12-13H,5-6H2,1H3
InChIKeyWEAARZRYDSFCKF-UHFFFAOYSA-N
XLogP2.30
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(methoxymethyl)-1,2,3,4-tetrahydroquinoxaline?
The IUPAC name of 5-bromo-2-(methoxymethyl)-1,2,3,4-tetrahydroquinoxaline (CID 130577854) is 5-bromo-2-(methoxymethyl)-1,2,3,4-tetrahydroquinoxaline.
What is the SMILES notation for 5-bromo-2-(methoxymethyl)-1,2,3,4-tetrahydroquinoxaline?
The canonical SMILES for 5-bromo-2-(methoxymethyl)-1,2,3,4-tetrahydroquinoxaline is COCC1CNc2c(Br)cccc2N1.
What is the InChIKey of 5-bromo-2-(methoxymethyl)-1,2,3,4-tetrahydroquinoxaline?
The InChIKey is WEAARZRYDSFCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O/c1-14-6-7-5-12-10-8(11)3-2-4-9(10)13-7/h2-4,7,12-13H,5-6H2,1H3.
What are the key properties of 5-bromo-2-(methoxymethyl)-1,2,3,4-tetrahydroquinoxaline?
5-bromo-2-(methoxymethyl)-1,2,3,4-tetrahydroquinoxaline has a molecular weight of 257.13 g/mol, XLogP of 2.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(methoxymethyl)-1,2,3,4-tetrahydroquinoxaline is sourced from PubChem (CID 130577854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).