7-bromo-4-(4-chlorophenyl)-6-fluoro-1,3-dihydroquinoxalin-2-one

C14H9BrClFN2O — CID 79290999

IUPAC7-bromo-4-(4-chlorophenyl)-6-fluoro-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(c2ccc(Cl)cc2)c2cc(F)c(Br)cc2N1
InChIInChI=1S/C14H9BrClFN2O/c15-10-5-12-13(6-11(10)17)19(7-14(20)18-12)9-3-1-8(16)2-4-9/h1-6H,7H2,(H,18,20)
InChIKeyVZRAMDZSBDDFDD-UHFFFAOYSA-N
MW355.59 g/mol
LogP4.33
Rot. Bonds1

About 7-bromo-4-(4-chlorophenyl)-6-fluoro-1,3-dihydroquinoxalin-2-one

7-bromo-4-(4-chlorophenyl)-6-fluoro-1,3-dihydroquinoxalin-2-one (PubChem CID 79290999) has the molecular formula C14H9BrClFN2O and a molecular weight of 355.59 g/mol. Its IUPAC name is 7-bromo-4-(4-chlorophenyl)-6-fluoro-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name7-bromo-4-(4-chlorophenyl)-6-fluoro-1,3-dihydroquinoxalin-2-one
PubChem CID79290999
Molecular FormulaC14H9BrClFN2O
Molecular Weight355.59 g/mol
Exact Mass353.96
IUPAC Name7-bromo-4-(4-chlorophenyl)-6-fluoro-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(c2ccc(Cl)cc2)c2cc(F)c(Br)cc2N1
InChIInChI=1S/C14H9BrClFN2O/c15-10-5-12-13(6-11(10)17)19(7-14(20)18-12)9-3-1-8(16)2-4-9/h1-6H,7H2,(H,18,20)
InChIKeyVZRAMDZSBDDFDD-UHFFFAOYSA-N
XLogP4.33
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.59
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-(4-chlorophenyl)-6-fluoro-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 7-bromo-4-(4-chlorophenyl)-6-fluoro-1,3-dihydroquinoxalin-2-one (CID 79290999) is 7-bromo-4-(4-chlorophenyl)-6-fluoro-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 7-bromo-4-(4-chlorophenyl)-6-fluoro-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 7-bromo-4-(4-chlorophenyl)-6-fluoro-1,3-dihydroquinoxalin-2-one is O=C1CN(c2ccc(Cl)cc2)c2cc(F)c(Br)cc2N1.
What is the InChIKey of 7-bromo-4-(4-chlorophenyl)-6-fluoro-1,3-dihydroquinoxalin-2-one?
The InChIKey is VZRAMDZSBDDFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClFN2O/c15-10-5-12-13(6-11(10)17)19(7-14(20)18-12)9-3-1-8(16)2-4-9/h1-6H,7H2,(H,18,20).
What are the key properties of 7-bromo-4-(4-chlorophenyl)-6-fluoro-1,3-dihydroquinoxalin-2-one?
7-bromo-4-(4-chlorophenyl)-6-fluoro-1,3-dihydroquinoxalin-2-one has a molecular weight of 355.59 g/mol, XLogP of 4.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-(4-chlorophenyl)-6-fluoro-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 79290999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).