7-bromo-3-phenyl-3,4-dihydro-1H-quinoxalin-2-one

C14H11BrN2O — CID 79290898

IUPAC7-bromo-3-phenyl-3,4-dihydro-1H-quinoxalin-2-one
SMILESO=C1Nc2cc(Br)ccc2NC1c1ccccc1
InChIInChI=1S/C14H11BrN2O/c15-10-6-7-11-12(8-10)17-14(18)13(16-11)9-4-2-1-3-5-9/h1-8,13,16H,(H,17,18)
InChIKeyAMNYHAPOBVARCV-UHFFFAOYSA-N
MW303.16 g/mol
LogP3.55
Rot. Bonds1

About 7-bromo-3-phenyl-3,4-dihydro-1H-quinoxalin-2-one

7-bromo-3-phenyl-3,4-dihydro-1H-quinoxalin-2-one (PubChem CID 79290898) has the molecular formula C14H11BrN2O and a molecular weight of 303.16 g/mol. Its IUPAC name is 7-bromo-3-phenyl-3,4-dihydro-1H-quinoxalin-2-one.

Molecular Properties

Compound Name7-bromo-3-phenyl-3,4-dihydro-1H-quinoxalin-2-one
PubChem CID79290898
Molecular FormulaC14H11BrN2O
Molecular Weight303.16 g/mol
Exact Mass302.01
IUPAC Name7-bromo-3-phenyl-3,4-dihydro-1H-quinoxalin-2-one
SMILESO=C1Nc2cc(Br)ccc2NC1c1ccccc1
InChIInChI=1S/C14H11BrN2O/c15-10-6-7-11-12(8-10)17-14(18)13(16-11)9-4-2-1-3-5-9/h1-8,13,16H,(H,17,18)
InChIKeyAMNYHAPOBVARCV-UHFFFAOYSA-N
XLogP3.55
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-phenyl-3,4-dihydro-1H-quinoxalin-2-one?
The IUPAC name of 7-bromo-3-phenyl-3,4-dihydro-1H-quinoxalin-2-one (CID 79290898) is 7-bromo-3-phenyl-3,4-dihydro-1H-quinoxalin-2-one.
What is the SMILES notation for 7-bromo-3-phenyl-3,4-dihydro-1H-quinoxalin-2-one?
The canonical SMILES for 7-bromo-3-phenyl-3,4-dihydro-1H-quinoxalin-2-one is O=C1Nc2cc(Br)ccc2NC1c1ccccc1.
What is the InChIKey of 7-bromo-3-phenyl-3,4-dihydro-1H-quinoxalin-2-one?
The InChIKey is AMNYHAPOBVARCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O/c15-10-6-7-11-12(8-10)17-14(18)13(16-11)9-4-2-1-3-5-9/h1-8,13,16H,(H,17,18).
What are the key properties of 7-bromo-3-phenyl-3,4-dihydro-1H-quinoxalin-2-one?
7-bromo-3-phenyl-3,4-dihydro-1H-quinoxalin-2-one has a molecular weight of 303.16 g/mol, XLogP of 3.55, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-phenyl-3,4-dihydro-1H-quinoxalin-2-one is sourced from PubChem (CID 79290898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).