5-bromo-2,4,7-trimethyl-2,3-dihydro-1H-quinoxaline

C11H15BrN2 — CID 84635598

IUPAC5-bromo-2,4,7-trimethyl-2,3-dihydro-1H-quinoxaline
SMILESCc1cc(Br)c2c(c1)NC(C)CN2C
InChIInChI=1S/C11H15BrN2/c1-7-4-9(12)11-10(5-7)13-8(2)6-14(11)3/h4-5,8,13H,6H2,1-3H3
InChIKeyPJQRKSZZSUNTBH-UHFFFAOYSA-N
MW255.16 g/mol
LogP3.01
Rot. Bonds

About 5-bromo-2,4,7-trimethyl-2,3-dihydro-1H-quinoxaline

5-bromo-2,4,7-trimethyl-2,3-dihydro-1H-quinoxaline (PubChem CID 84635598) has the molecular formula C11H15BrN2 and a molecular weight of 255.16 g/mol. Its IUPAC name is 5-bromo-2,4,7-trimethyl-2,3-dihydro-1H-quinoxaline.

Molecular Properties

Compound Name5-bromo-2,4,7-trimethyl-2,3-dihydro-1H-quinoxaline
PubChem CID84635598
Molecular FormulaC11H15BrN2
Molecular Weight255.16 g/mol
Exact Mass254.04
IUPAC Name5-bromo-2,4,7-trimethyl-2,3-dihydro-1H-quinoxaline
SMILESCc1cc(Br)c2c(c1)NC(C)CN2C
InChIInChI=1S/C11H15BrN2/c1-7-4-9(12)11-10(5-7)13-8(2)6-14(11)3/h4-5,8,13H,6H2,1-3H3
InChIKeyPJQRKSZZSUNTBH-UHFFFAOYSA-N
XLogP3.01
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.16
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2,4,7-trimethyl-2,3-dihydro-1H-quinoxaline?
The IUPAC name of 5-bromo-2,4,7-trimethyl-2,3-dihydro-1H-quinoxaline (CID 84635598) is 5-bromo-2,4,7-trimethyl-2,3-dihydro-1H-quinoxaline.
What is the SMILES notation for 5-bromo-2,4,7-trimethyl-2,3-dihydro-1H-quinoxaline?
The canonical SMILES for 5-bromo-2,4,7-trimethyl-2,3-dihydro-1H-quinoxaline is Cc1cc(Br)c2c(c1)NC(C)CN2C.
What is the InChIKey of 5-bromo-2,4,7-trimethyl-2,3-dihydro-1H-quinoxaline?
The InChIKey is PJQRKSZZSUNTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2/c1-7-4-9(12)11-10(5-7)13-8(2)6-14(11)3/h4-5,8,13H,6H2,1-3H3.
What are the key properties of 5-bromo-2,4,7-trimethyl-2,3-dihydro-1H-quinoxaline?
5-bromo-2,4,7-trimethyl-2,3-dihydro-1H-quinoxaline has a molecular weight of 255.16 g/mol, XLogP of 3.01, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2,4,7-trimethyl-2,3-dihydro-1H-quinoxaline is sourced from PubChem (CID 84635598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).