(3Z)-6-chloro-3-[(3,5-dibromophenyl)methylidene]-1,4-dihydroquinoxalin-2-one

C15H9Br2ClN2O — CID 66550206

IUPAC(3Z)-6-chloro-3-[(3,5-dibromophenyl)methylidene]-1,4-dihydroquinoxalin-2-one
SMILESO=C1Nc2ccc(Cl)cc2N/C1=C\c1cc(Br)cc(Br)c1
InChIInChI=1S/C15H9Br2ClN2O/c16-9-3-8(4-10(17)6-9)5-14-15(21)20-12-2-1-11(18)7-13(12)19-14/h1-7,19H,(H,20,21)/b14-5-
InChIKeyWZKIVYHSTYBFAG-RZNTYIFUSA-N
MW428.51 g/mol
LogP5.27
Rot. Bonds1

About (3Z)-6-chloro-3-[(3,5-dibromophenyl)methylidene]-1,4-dihydroquinoxalin-2-one

(3Z)-6-chloro-3-[(3,5-dibromophenyl)methylidene]-1,4-dihydroquinoxalin-2-one (PubChem CID 66550206) has the molecular formula C15H9Br2ClN2O and a molecular weight of 428.51 g/mol. Its IUPAC name is (3Z)-6-chloro-3-[(3,5-dibromophenyl)methylidene]-1,4-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name(3Z)-6-chloro-3-[(3,5-dibromophenyl)methylidene]-1,4-dihydroquinoxalin-2-one
PubChem CID66550206
Molecular FormulaC15H9Br2ClN2O
Molecular Weight428.51 g/mol
Exact Mass425.88
IUPAC Name(3Z)-6-chloro-3-[(3,5-dibromophenyl)methylidene]-1,4-dihydroquinoxalin-2-one
SMILESO=C1Nc2ccc(Cl)cc2N/C1=C\c1cc(Br)cc(Br)c1
InChIInChI=1S/C15H9Br2ClN2O/c16-9-3-8(4-10(17)6-9)5-14-15(21)20-12-2-1-11(18)7-13(12)19-14/h1-7,19H,(H,20,21)/b14-5-
InChIKeyWZKIVYHSTYBFAG-RZNTYIFUSA-N
XLogP5.27
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.51
LogP ≤ 55.27
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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Related Compounds

N-(2-Amino-5-chloro-phenyl)-5-bromo-2-fluoro-benzamide
CID 24699699
N-(2-amino-4-chlorophenyl)-5-bromo-2-fluorobenzamide
CID 24689641
N-(2-amino-4-chlorophenyl)-3-bromo-5-fluorobenzamide
CID 43248151
N-(2-amino-5-chlorophenyl)-3-bromo-5-fluorobenzamide
CID 43248158
N-(2-amino-4-chlorophenyl)-3-bromo-4-fluorobenzamide
CID 107948699
N-(2-amino-4-chlorophenyl)-3-bromo-2-fluorobenzamide
CID 107948700
N-(2-amino-5-chlorophenyl)-3-bromo-4-fluorobenzamide
CID 107948708
N-(2-amino-5-chlorophenyl)-3-bromo-2-fluorobenzamide
CID 107948709
(3Z)-3-[(3,5-dibromophenyl)methylidene]-1,4-dihydroquinoxalin-2-one
CID 66550205
3-[(3,5-Dibromophenyl)methylidene]-1,4-dihydroquinoxalin-2-one
CID 68325834
6-Chloro-3-[(3,5-dibromophenyl)methylidene]-1,4-dihydroquinoxalin-2-one
CID 68325868
6-chloro-3-[(3,5-dibromophenyl)methyl]-1H-quinoxalin-2-one
CID 123418809

Frequently Asked Questions

What is the IUPAC name of (3Z)-6-chloro-3-[(3,5-dibromophenyl)methylidene]-1,4-dihydroquinoxalin-2-one?
The IUPAC name of (3Z)-6-chloro-3-[(3,5-dibromophenyl)methylidene]-1,4-dihydroquinoxalin-2-one (CID 66550206) is (3Z)-6-chloro-3-[(3,5-dibromophenyl)methylidene]-1,4-dihydroquinoxalin-2-one.
What is the SMILES notation for (3Z)-6-chloro-3-[(3,5-dibromophenyl)methylidene]-1,4-dihydroquinoxalin-2-one?
The canonical SMILES for (3Z)-6-chloro-3-[(3,5-dibromophenyl)methylidene]-1,4-dihydroquinoxalin-2-one is O=C1Nc2ccc(Cl)cc2N/C1=C\c1cc(Br)cc(Br)c1.
What is the InChIKey of (3Z)-6-chloro-3-[(3,5-dibromophenyl)methylidene]-1,4-dihydroquinoxalin-2-one?
The InChIKey is WZKIVYHSTYBFAG-RZNTYIFUSA-N. The full InChI is InChI=1S/C15H9Br2ClN2O/c16-9-3-8(4-10(17)6-9)5-14-15(21)20-12-2-1-11(18)7-13(12)19-14/h1-7,19H,(H,20,21)/b14-5-.
What are the key properties of (3Z)-6-chloro-3-[(3,5-dibromophenyl)methylidene]-1,4-dihydroquinoxalin-2-one?
(3Z)-6-chloro-3-[(3,5-dibromophenyl)methylidene]-1,4-dihydroquinoxalin-2-one has a molecular weight of 428.51 g/mol, XLogP of 5.27, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-6-chloro-3-[(3,5-dibromophenyl)methylidene]-1,4-dihydroquinoxalin-2-one is sourced from PubChem (CID 66550206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).