7-bromo-4-phenyl-1,3-dihydroquinoxalin-2-one

C14H11BrN2O — CID 79290826

IUPAC7-bromo-4-phenyl-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(c2ccccc2)c2ccc(Br)cc2N1
InChIInChI=1S/C14H11BrN2O/c15-10-6-7-13-12(8-10)16-14(18)9-17(13)11-4-2-1-3-5-11/h1-8H,9H2,(H,16,18)
InChIKeyMOTRQYGXDDJHLT-UHFFFAOYSA-N
MW303.16 g/mol
LogP3.54
Rot. Bonds1

About 7-bromo-4-phenyl-1,3-dihydroquinoxalin-2-one

7-bromo-4-phenyl-1,3-dihydroquinoxalin-2-one (PubChem CID 79290826) has the molecular formula C14H11BrN2O and a molecular weight of 303.16 g/mol. Its IUPAC name is 7-bromo-4-phenyl-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name7-bromo-4-phenyl-1,3-dihydroquinoxalin-2-one
PubChem CID79290826
Molecular FormulaC14H11BrN2O
Molecular Weight303.16 g/mol
Exact Mass302.01
IUPAC Name7-bromo-4-phenyl-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(c2ccccc2)c2ccc(Br)cc2N1
InChIInChI=1S/C14H11BrN2O/c15-10-6-7-13-12(8-10)16-14(18)9-17(13)11-4-2-1-3-5-11/h1-8H,9H2,(H,16,18)
InChIKeyMOTRQYGXDDJHLT-UHFFFAOYSA-N
XLogP3.54
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-phenyl-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 7-bromo-4-phenyl-1,3-dihydroquinoxalin-2-one (CID 79290826) is 7-bromo-4-phenyl-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 7-bromo-4-phenyl-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 7-bromo-4-phenyl-1,3-dihydroquinoxalin-2-one is O=C1CN(c2ccccc2)c2ccc(Br)cc2N1.
What is the InChIKey of 7-bromo-4-phenyl-1,3-dihydroquinoxalin-2-one?
The InChIKey is MOTRQYGXDDJHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O/c15-10-6-7-13-12(8-10)16-14(18)9-17(13)11-4-2-1-3-5-11/h1-8H,9H2,(H,16,18).
What are the key properties of 7-bromo-4-phenyl-1,3-dihydroquinoxalin-2-one?
7-bromo-4-phenyl-1,3-dihydroquinoxalin-2-one has a molecular weight of 303.16 g/mol, XLogP of 3.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-phenyl-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 79290826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).