4-(4-bromo-2-methylphenyl)-2,3-dihydro-1H-quinoxaline

C15H15BrN2 — CID 117006770

IUPAC4-(4-bromo-2-methylphenyl)-2,3-dihydro-1H-quinoxaline
SMILESCc1cc(Br)ccc1N1CCNc2ccccc21
InChIInChI=1S/C15H15BrN2/c1-11-10-12(16)6-7-14(11)18-9-8-17-13-4-2-3-5-15(13)18/h2-7,10,17H,8-9H2,1H3
InChIKeyOEKAYMIPXKEHNP-UHFFFAOYSA-N
MW303.20 g/mol
LogP4.32
Rot. Bonds1

About 4-(4-bromo-2-methylphenyl)-2,3-dihydro-1H-quinoxaline

4-(4-bromo-2-methylphenyl)-2,3-dihydro-1H-quinoxaline (PubChem CID 117006770) has the molecular formula C15H15BrN2 and a molecular weight of 303.20 g/mol. Its IUPAC name is 4-(4-bromo-2-methylphenyl)-2,3-dihydro-1H-quinoxaline.

Molecular Properties

Compound Name4-(4-bromo-2-methylphenyl)-2,3-dihydro-1H-quinoxaline
PubChem CID117006770
Molecular FormulaC15H15BrN2
Molecular Weight303.20 g/mol
Exact Mass302.04
IUPAC Name4-(4-bromo-2-methylphenyl)-2,3-dihydro-1H-quinoxaline
SMILESCc1cc(Br)ccc1N1CCNc2ccccc21
InChIInChI=1S/C15H15BrN2/c1-11-10-12(16)6-7-14(11)18-9-8-17-13-4-2-3-5-15(13)18/h2-7,10,17H,8-9H2,1H3
InChIKeyOEKAYMIPXKEHNP-UHFFFAOYSA-N
XLogP4.32
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.20
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2-methylphenyl)-2,3-dihydro-1H-quinoxaline?
The IUPAC name of 4-(4-bromo-2-methylphenyl)-2,3-dihydro-1H-quinoxaline (CID 117006770) is 4-(4-bromo-2-methylphenyl)-2,3-dihydro-1H-quinoxaline.
What is the SMILES notation for 4-(4-bromo-2-methylphenyl)-2,3-dihydro-1H-quinoxaline?
The canonical SMILES for 4-(4-bromo-2-methylphenyl)-2,3-dihydro-1H-quinoxaline is Cc1cc(Br)ccc1N1CCNc2ccccc21.
What is the InChIKey of 4-(4-bromo-2-methylphenyl)-2,3-dihydro-1H-quinoxaline?
The InChIKey is OEKAYMIPXKEHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2/c1-11-10-12(16)6-7-14(11)18-9-8-17-13-4-2-3-5-15(13)18/h2-7,10,17H,8-9H2,1H3.
What are the key properties of 4-(4-bromo-2-methylphenyl)-2,3-dihydro-1H-quinoxaline?
4-(4-bromo-2-methylphenyl)-2,3-dihydro-1H-quinoxaline has a molecular weight of 303.20 g/mol, XLogP of 4.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-2-methylphenyl)-2,3-dihydro-1H-quinoxaline is sourced from PubChem (CID 117006770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).