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

C16H13BrN2O2 — CID 9353521

IUPAC1-[(3-bromo-4-methoxyphenyl)methyl]quinoxalin-2-one
SMILESCOc1ccc(Cn2c(=O)cnc3ccccc32)cc1Br
InChIInChI=1S/C16H13BrN2O2/c1-21-15-7-6-11(8-12(15)17)10-19-14-5-3-2-4-13(14)18-9-16(19)20/h2-9H,10H2,1H3
InChIKeyPWTQHEKKIWCFKW-UHFFFAOYSA-N
MW345.20 g/mol
LogP3.22
Rot. Bonds3

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

1-[(3-bromo-4-methoxyphenyl)methyl]quinoxalin-2-one (PubChem CID 9353521) has the molecular formula C16H13BrN2O2 and a molecular weight of 345.20 g/mol. Its IUPAC name is 1-[(3-bromo-4-methoxyphenyl)methyl]quinoxalin-2-one.

Molecular Properties

Compound Name1-[(3-bromo-4-methoxyphenyl)methyl]quinoxalin-2-one
PubChem CID9353521
Molecular FormulaC16H13BrN2O2
Molecular Weight345.20 g/mol
Exact Mass344.02
IUPAC Name1-[(3-bromo-4-methoxyphenyl)methyl]quinoxalin-2-one
SMILESCOc1ccc(Cn2c(=O)cnc3ccccc32)cc1Br
InChIInChI=1S/C16H13BrN2O2/c1-21-15-7-6-11(8-12(15)17)10-19-14-5-3-2-4-13(14)18-9-16(19)20/h2-9H,10H2,1H3
InChIKeyPWTQHEKKIWCFKW-UHFFFAOYSA-N
XLogP3.22
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.20
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(3-bromo-4-methoxyphenyl)methyl]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

1-[(4-methoxyphenyl)methyl]quinoxalin-2-one
CID 15497841
1-[(3-bromo-4-methoxyphenyl)methyl]-6-methylpyridin-2-one
CID 54970751
3-[(3-bromo-4-methoxyphenyl)methyl]quinazolin-4-one
CID 9138174
1-[(3-bromo-4-methoxyphenyl)methyl]indazole
CID 62140207
2-[(3-bromo-4-methoxyphenyl)methyl]-5-iodopyridazin-3-one
CID 114553704
1-[[2-(ethylamino)-4-pyridinyl]methyl]quinoxalin-2-one
CID 62465256
7-bromo-1-[(4-methoxyphenyl)methyl]-1,5-naphthyridin-2-one
CID 67993011
1-benzyl-6-bromoquinoxalin-2-one
CID 90152761
3-[(3-bromo-4-methoxyphenyl)methyl]-6-methylpyrimidin-4-one
CID 54970847
1-[(2-amino-6-bromophenyl)methyl]quinoxalin-2-one
CID 43349699
1-[(3-bromo-4-methoxyphenyl)methyl]pyridin-4-one
CID 55127426
1-[[2-(aminomethyl)-5-fluorophenyl]methyl]quinoxalin-2-one
CID 64765379

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromo-4-methoxyphenyl)methyl]quinoxalin-2-one?
The IUPAC name of 1-[(3-bromo-4-methoxyphenyl)methyl]quinoxalin-2-one (CID 9353521) is 1-[(3-bromo-4-methoxyphenyl)methyl]quinoxalin-2-one.
What is the SMILES notation for 1-[(3-bromo-4-methoxyphenyl)methyl]quinoxalin-2-one?
The canonical SMILES for 1-[(3-bromo-4-methoxyphenyl)methyl]quinoxalin-2-one is COc1ccc(Cn2c(=O)cnc3ccccc32)cc1Br.
What is the InChIKey of 1-[(3-bromo-4-methoxyphenyl)methyl]quinoxalin-2-one?
The InChIKey is PWTQHEKKIWCFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O2/c1-21-15-7-6-11(8-12(15)17)10-19-14-5-3-2-4-13(14)18-9-16(19)20/h2-9H,10H2,1H3.
What are the key properties of 1-[(3-bromo-4-methoxyphenyl)methyl]quinoxalin-2-one?
1-[(3-bromo-4-methoxyphenyl)methyl]quinoxalin-2-one has a molecular weight of 345.20 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromo-4-methoxyphenyl)methyl]quinoxalin-2-one is sourced from PubChem (CID 9353521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).