4-(2-bromo-5-fluorobenzoyl)-1,3-dihydroquinoxalin-2-one

C15H10BrFN2O2 — CID 28822405

IUPAC4-(2-bromo-5-fluorobenzoyl)-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)c2cc(F)ccc2Br)c2ccccc2N1
InChIInChI=1S/C15H10BrFN2O2/c16-11-6-5-9(17)7-10(11)15(21)19-8-14(20)18-12-3-1-2-4-13(12)19/h1-7H,8H2,(H,18,20)
InChIKeyUIOWXDLQKWVWID-UHFFFAOYSA-N
MW349.16 g/mol
LogP3.19
Rot. Bonds1

About 4-(2-bromo-5-fluorobenzoyl)-1,3-dihydroquinoxalin-2-one

4-(2-bromo-5-fluorobenzoyl)-1,3-dihydroquinoxalin-2-one (PubChem CID 28822405) has the molecular formula C15H10BrFN2O2 and a molecular weight of 349.16 g/mol. Its IUPAC name is 4-(2-bromo-5-fluorobenzoyl)-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-(2-bromo-5-fluorobenzoyl)-1,3-dihydroquinoxalin-2-one
PubChem CID28822405
Molecular FormulaC15H10BrFN2O2
Molecular Weight349.16 g/mol
Exact Mass347.99
IUPAC Name4-(2-bromo-5-fluorobenzoyl)-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)c2cc(F)ccc2Br)c2ccccc2N1
InChIInChI=1S/C15H10BrFN2O2/c16-11-6-5-9(17)7-10(11)15(21)19-8-14(20)18-12-3-1-2-4-13(12)19/h1-7H,8H2,(H,18,20)
InChIKeyUIOWXDLQKWVWID-UHFFFAOYSA-N
XLogP3.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.16
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-fluoro-2-methylbenzoyl)-1,3-dihydroquinoxalin-2-one
CID 115745127
4-(3-fluorobenzoyl)-1,3-dihydroquinoxalin-2-one
CID 3159804
4-(2-bromo-5-fluorobenzoyl)piperazine-2,6-dione
CID 66083562
4-(2,3-difluorobenzoyl)-1,3-dihydroquinoxalin-2-one
CID 60620753
4-(4-bromo-2-sulfanylbenzoyl)-1,3-dihydroquinoxalin-2-one
CID 107021932
4-(4-bromo-2-chlorobenzoyl)-1,3-dihydroquinoxalin-2-one
CID 61059136
4-(2-fluoro-4-methylbenzoyl)-1,3-dihydroquinoxalin-2-one
CID 79764947
4-(4-bromo-3-chlorobenzoyl)-1,3-dihydroquinoxalin-2-one
CID 80948248
4-[(2S)-2-(2-bromo-4-fluorophenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 8728680
4-(2,5-dihydroxybenzoyl)-1,3-dihydroquinoxalin-2-one
CID 107722296
4-(2-fluoro-4-methoxybenzoyl)-1,3-dihydroquinoxalin-2-one
CID 24568356
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2,4-difluorobenzoate
CID 2645908

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-5-fluorobenzoyl)-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-(2-bromo-5-fluorobenzoyl)-1,3-dihydroquinoxalin-2-one (CID 28822405) is 4-(2-bromo-5-fluorobenzoyl)-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-(2-bromo-5-fluorobenzoyl)-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-(2-bromo-5-fluorobenzoyl)-1,3-dihydroquinoxalin-2-one is O=C1CN(C(=O)c2cc(F)ccc2Br)c2ccccc2N1.
What is the InChIKey of 4-(2-bromo-5-fluorobenzoyl)-1,3-dihydroquinoxalin-2-one?
The InChIKey is UIOWXDLQKWVWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrFN2O2/c16-11-6-5-9(17)7-10(11)15(21)19-8-14(20)18-12-3-1-2-4-13(12)19/h1-7H,8H2,(H,18,20).
What are the key properties of 4-(2-bromo-5-fluorobenzoyl)-1,3-dihydroquinoxalin-2-one?
4-(2-bromo-5-fluorobenzoyl)-1,3-dihydroquinoxalin-2-one has a molecular weight of 349.16 g/mol, XLogP of 3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-5-fluorobenzoyl)-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 28822405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).