4-(2-acetyl-5-bromophenyl)-1,3-dihydroquinoxalin-2-one

C16H13BrN2O2 — CID 82953630

IUPAC4-(2-acetyl-5-bromophenyl)-1,3-dihydroquinoxalin-2-one
SMILESCC(=O)c1ccc(Br)cc1N1CC(=O)Nc2ccccc21
InChIInChI=1S/C16H13BrN2O2/c1-10(20)12-7-6-11(17)8-15(12)19-9-16(21)18-13-4-2-3-5-14(13)19/h2-8H,9H2,1H3,(H,18,21)
InChIKeyBDKFVMUOWXNDBA-UHFFFAOYSA-N
MW345.20 g/mol
LogP3.74
Rot. Bonds2

About 4-(2-acetyl-5-bromophenyl)-1,3-dihydroquinoxalin-2-one

4-(2-acetyl-5-bromophenyl)-1,3-dihydroquinoxalin-2-one (PubChem CID 82953630) has the molecular formula C16H13BrN2O2 and a molecular weight of 345.20 g/mol. Its IUPAC name is 4-(2-acetyl-5-bromophenyl)-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-(2-acetyl-5-bromophenyl)-1,3-dihydroquinoxalin-2-one
PubChem CID82953630
Molecular FormulaC16H13BrN2O2
Molecular Weight345.20 g/mol
Exact Mass344.02
IUPAC Name4-(2-acetyl-5-bromophenyl)-1,3-dihydroquinoxalin-2-one
SMILESCC(=O)c1ccc(Br)cc1N1CC(=O)Nc2ccccc21
InChIInChI=1S/C16H13BrN2O2/c1-10(20)12-7-6-11(17)8-15(12)19-9-16(21)18-13-4-2-3-5-14(13)19/h2-8H,9H2,1H3,(H,18,21)
InChIKeyBDKFVMUOWXNDBA-UHFFFAOYSA-N
XLogP3.74
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.20
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[5-bromo-2-(1-hydroxyethyl)phenyl]-1,3-dihydroquinoxalin-2-one
CID 82957257
4-bromo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)benzonitrile
CID 114901390
5-bromo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)benzonitrile
CID 114890428
4-(4-bromophenyl)-1,3-dihydroquinoxalin-2-one
CID 117006597
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-propanoylphenyl)-1,3-dihydroquinoxalin-2-one
CID 115994549
4-[2-bromo-4-(1-hydroxyethyl)phenyl]-1,3-dihydroquinoxalin-2-one
CID 62909025
7-bromo-4-phenyl-1,3-dihydroquinoxalin-2-one
CID 79290826
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-amino-5-bromobenzoate
CID 7149179
5-methyl-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)benzenecarbothioamide
CID 107928491
4-[4-(aminomethyl)-2-bromophenyl]-1,3-dihydroquinoxalin-2-one
CID 82794081

Frequently Asked Questions

What is the IUPAC name of 4-(2-acetyl-5-bromophenyl)-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-(2-acetyl-5-bromophenyl)-1,3-dihydroquinoxalin-2-one (CID 82953630) is 4-(2-acetyl-5-bromophenyl)-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-(2-acetyl-5-bromophenyl)-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-(2-acetyl-5-bromophenyl)-1,3-dihydroquinoxalin-2-one is CC(=O)c1ccc(Br)cc1N1CC(=O)Nc2ccccc21.
What is the InChIKey of 4-(2-acetyl-5-bromophenyl)-1,3-dihydroquinoxalin-2-one?
The InChIKey is BDKFVMUOWXNDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O2/c1-10(20)12-7-6-11(17)8-15(12)19-9-16(21)18-13-4-2-3-5-14(13)19/h2-8H,9H2,1H3,(H,18,21).
What are the key properties of 4-(2-acetyl-5-bromophenyl)-1,3-dihydroquinoxalin-2-one?
4-(2-acetyl-5-bromophenyl)-1,3-dihydroquinoxalin-2-one has a molecular weight of 345.20 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-acetyl-5-bromophenyl)-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 82953630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).