(3Z)-3-[(3,5-dibromophenyl)methylidene]-1,4-dihydroquinoxalin-2-one

C15H10Br2N2O — CID 66550205

IUPAC(3Z)-3-[(3,5-dibromophenyl)methylidene]-1,4-dihydroquinoxalin-2-one
SMILESO=C1Nc2ccccc2N/C1=C\c1cc(Br)cc(Br)c1
InChIInChI=1S/C15H10Br2N2O/c16-10-5-9(6-11(17)8-10)7-14-15(20)19-13-4-2-1-3-12(13)18-14/h1-8,18H,(H,19,20)/b14-7-
InChIKeyYXPKFENFLBZSEA-AUWJEWJLSA-N
MW394.07 g/mol
LogP4.62
Rot. Bonds1

About (3Z)-3-[(3,5-dibromophenyl)methylidene]-1,4-dihydroquinoxalin-2-one

(3Z)-3-[(3,5-dibromophenyl)methylidene]-1,4-dihydroquinoxalin-2-one (PubChem CID 66550205) has the molecular formula C15H10Br2N2O and a molecular weight of 394.07 g/mol. Its IUPAC name is (3Z)-3-[(3,5-dibromophenyl)methylidene]-1,4-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name(3Z)-3-[(3,5-dibromophenyl)methylidene]-1,4-dihydroquinoxalin-2-one
PubChem CID66550205
Molecular FormulaC15H10Br2N2O
Molecular Weight394.07 g/mol
Exact Mass391.92
IUPAC Name(3Z)-3-[(3,5-dibromophenyl)methylidene]-1,4-dihydroquinoxalin-2-one
SMILESO=C1Nc2ccccc2N/C1=C\c1cc(Br)cc(Br)c1
InChIInChI=1S/C15H10Br2N2O/c16-10-5-9(6-11(17)8-10)7-14-15(20)19-13-4-2-1-3-12(13)18-14/h1-8,18H,(H,19,20)/b14-7-
InChIKeyYXPKFENFLBZSEA-AUWJEWJLSA-N
XLogP4.62
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.07
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(3,5-dibromophenyl)methylidene]-1,4-dihydroquinoxalin-2-one?
The IUPAC name of (3Z)-3-[(3,5-dibromophenyl)methylidene]-1,4-dihydroquinoxalin-2-one (CID 66550205) is (3Z)-3-[(3,5-dibromophenyl)methylidene]-1,4-dihydroquinoxalin-2-one.
What is the SMILES notation for (3Z)-3-[(3,5-dibromophenyl)methylidene]-1,4-dihydroquinoxalin-2-one?
The canonical SMILES for (3Z)-3-[(3,5-dibromophenyl)methylidene]-1,4-dihydroquinoxalin-2-one is O=C1Nc2ccccc2N/C1=C\c1cc(Br)cc(Br)c1.
What is the InChIKey of (3Z)-3-[(3,5-dibromophenyl)methylidene]-1,4-dihydroquinoxalin-2-one?
The InChIKey is YXPKFENFLBZSEA-AUWJEWJLSA-N. The full InChI is InChI=1S/C15H10Br2N2O/c16-10-5-9(6-11(17)8-10)7-14-15(20)19-13-4-2-1-3-12(13)18-14/h1-8,18H,(H,19,20)/b14-7-.
What are the key properties of (3Z)-3-[(3,5-dibromophenyl)methylidene]-1,4-dihydroquinoxalin-2-one?
(3Z)-3-[(3,5-dibromophenyl)methylidene]-1,4-dihydroquinoxalin-2-one has a molecular weight of 394.07 g/mol, XLogP of 4.62, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(3,5-dibromophenyl)methylidene]-1,4-dihydroquinoxalin-2-one is sourced from PubChem (CID 66550205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).