3-[(3-bromo-4-methoxyphenyl)methyl]-1H-quinoxalin-2-one

C16H13BrN2O2 — CID 15995556

IUPAC3-[(3-bromo-4-methoxyphenyl)methyl]-1H-quinoxalin-2-one
SMILESCOc1ccc(Cc2nc3ccccc3[nH]c2=O)cc1Br
InChIInChI=1S/C16H13BrN2O2/c1-21-15-7-6-10(8-11(15)17)9-14-16(20)19-13-5-3-2-4-12(13)18-14/h2-8H,9H2,1H3,(H,19,20)
InChIKeyFTWVLVHBSZKROQ-UHFFFAOYSA-N
MW345.20 g/mol
LogP3.29
Rot. Bonds3

About 3-[(3-bromo-4-methoxyphenyl)methyl]-1H-quinoxalin-2-one

3-[(3-bromo-4-methoxyphenyl)methyl]-1H-quinoxalin-2-one (PubChem CID 15995556) has the molecular formula C16H13BrN2O2 and a molecular weight of 345.20 g/mol. Its IUPAC name is 3-[(3-bromo-4-methoxyphenyl)methyl]-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-[(3-bromo-4-methoxyphenyl)methyl]-1H-quinoxalin-2-one
PubChem CID15995556
Molecular FormulaC16H13BrN2O2
Molecular Weight345.20 g/mol
Exact Mass344.02
IUPAC Name3-[(3-bromo-4-methoxyphenyl)methyl]-1H-quinoxalin-2-one
SMILESCOc1ccc(Cc2nc3ccccc3[nH]c2=O)cc1Br
InChIInChI=1S/C16H13BrN2O2/c1-21-15-7-6-10(8-11(15)17)9-14-16(20)19-13-5-3-2-4-12(13)18-14/h2-8H,9H2,1H3,(H,19,20)
InChIKeyFTWVLVHBSZKROQ-UHFFFAOYSA-N
XLogP3.29
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.20
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(3-bromo-4-methoxyphenyl)methyl]-1H-quinoxalin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[(3-oxo-4H-quinoxalin-2-yl)methyl]phenyl]acetamide
CID 15531658
2-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-1H-benzimidazole
CID 89482987
2-[1-(3-bromo-4-methoxyphenyl)ethyl]-1H-benzimidazole
CID 89433823
[2-[(3-oxo-4H-quinoxalin-2-yl)methyl]phenyl] acetate
CID 13004252
3-[(2-bromophenyl)methyl]-6,7-dimethyl-1H-quinoxalin-2-one
CID 5053613
2-(5-bromo-2-iodo-4-methoxyphenyl)-1H-benzimidazole
CID 168555811
5-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methoxyaniline
CID 28550566
3-[(3-bromo-4-methoxyphenyl)methyl]quinazolin-4-one
CID 9138174
benzene-1,2-diamine;3-benzyl-1H-quinoxalin-2-one;2-oxo-3-phenylpropanoic acid
CID 160851609
2-(3-bromo-4-methoxyphenyl)-1H-indole
CID 82050099
N-[2-[(3-oxo-4H-quinoxalin-2-yl)methyl]phenyl]acetamide
CID 11709106
N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 110339461

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromo-4-methoxyphenyl)methyl]-1H-quinoxalin-2-one?
The IUPAC name of 3-[(3-bromo-4-methoxyphenyl)methyl]-1H-quinoxalin-2-one (CID 15995556) is 3-[(3-bromo-4-methoxyphenyl)methyl]-1H-quinoxalin-2-one.
What is the SMILES notation for 3-[(3-bromo-4-methoxyphenyl)methyl]-1H-quinoxalin-2-one?
The canonical SMILES for 3-[(3-bromo-4-methoxyphenyl)methyl]-1H-quinoxalin-2-one is COc1ccc(Cc2nc3ccccc3[nH]c2=O)cc1Br.
What is the InChIKey of 3-[(3-bromo-4-methoxyphenyl)methyl]-1H-quinoxalin-2-one?
The InChIKey is FTWVLVHBSZKROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O2/c1-21-15-7-6-10(8-11(15)17)9-14-16(20)19-13-5-3-2-4-12(13)18-14/h2-8H,9H2,1H3,(H,19,20).
What are the key properties of 3-[(3-bromo-4-methoxyphenyl)methyl]-1H-quinoxalin-2-one?
3-[(3-bromo-4-methoxyphenyl)methyl]-1H-quinoxalin-2-one has a molecular weight of 345.20 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromo-4-methoxyphenyl)methyl]-1H-quinoxalin-2-one is sourced from PubChem (CID 15995556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).