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

C15H15BrN2 — CID 117006928

IUPAC7-bromo-4-(3-methylphenyl)-2,3-dihydro-1H-quinoxaline
SMILESCc1cccc(N2CCNc3cc(Br)ccc32)c1
InChIInChI=1S/C15H15BrN2/c1-11-3-2-4-13(9-11)18-8-7-17-14-10-12(16)5-6-15(14)18/h2-6,9-10,17H,7-8H2,1H3
InChIKeyAYOOCZGCAPQPJI-UHFFFAOYSA-N
MW303.20 g/mol
LogP4.32
Rot. Bonds1

About 7-bromo-4-(3-methylphenyl)-2,3-dihydro-1H-quinoxaline

7-bromo-4-(3-methylphenyl)-2,3-dihydro-1H-quinoxaline (PubChem CID 117006928) has the molecular formula C15H15BrN2 and a molecular weight of 303.20 g/mol. Its IUPAC name is 7-bromo-4-(3-methylphenyl)-2,3-dihydro-1H-quinoxaline.

Molecular Properties

Compound Name7-bromo-4-(3-methylphenyl)-2,3-dihydro-1H-quinoxaline
PubChem CID117006928
Molecular FormulaC15H15BrN2
Molecular Weight303.20 g/mol
Exact Mass302.04
IUPAC Name7-bromo-4-(3-methylphenyl)-2,3-dihydro-1H-quinoxaline
SMILESCc1cccc(N2CCNc3cc(Br)ccc32)c1
InChIInChI=1S/C15H15BrN2/c1-11-3-2-4-13(9-11)18-8-7-17-14-10-12(16)5-6-15(14)18/h2-6,9-10,17H,7-8H2,1H3
InChIKeyAYOOCZGCAPQPJI-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 7-bromo-4-(3-methylphenyl)-2,3-dihydro-1H-quinoxaline?
The IUPAC name of 7-bromo-4-(3-methylphenyl)-2,3-dihydro-1H-quinoxaline (CID 117006928) is 7-bromo-4-(3-methylphenyl)-2,3-dihydro-1H-quinoxaline.
What is the SMILES notation for 7-bromo-4-(3-methylphenyl)-2,3-dihydro-1H-quinoxaline?
The canonical SMILES for 7-bromo-4-(3-methylphenyl)-2,3-dihydro-1H-quinoxaline is Cc1cccc(N2CCNc3cc(Br)ccc32)c1.
What is the InChIKey of 7-bromo-4-(3-methylphenyl)-2,3-dihydro-1H-quinoxaline?
The InChIKey is AYOOCZGCAPQPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2/c1-11-3-2-4-13(9-11)18-8-7-17-14-10-12(16)5-6-15(14)18/h2-6,9-10,17H,7-8H2,1H3.
What are the key properties of 7-bromo-4-(3-methylphenyl)-2,3-dihydro-1H-quinoxaline?
7-bromo-4-(3-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 7-bromo-4-(3-methylphenyl)-2,3-dihydro-1H-quinoxaline is sourced from PubChem (CID 117006928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).