6-bromo-7-methoxy-1-methyl-3-phenylquinoxaline-2,5,8-trione

C16H11BrN2O4 — CID 10499684

IUPAC6-bromo-7-methoxy-1-methyl-3-phenylquinoxaline-2,5,8-trione
SMILESCOC1=C(Br)C(=O)c2nc(-c3ccccc3)c(=O)n(C)c2C1=O
InChIInChI=1S/C16H11BrN2O4/c1-19-12-11(13(20)9(17)15(23-2)14(12)21)18-10(16(19)22)8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKeySFPWCJIKNKQKRM-UHFFFAOYSA-N
MW375.18 g/mol
LogP2.08
Rot. Bonds2

About 6-bromo-7-methoxy-1-methyl-3-phenylquinoxaline-2,5,8-trione

6-bromo-7-methoxy-1-methyl-3-phenylquinoxaline-2,5,8-trione (PubChem CID 10499684) has the molecular formula C16H11BrN2O4 and a molecular weight of 375.18 g/mol. Its IUPAC name is 6-bromo-7-methoxy-1-methyl-3-phenylquinoxaline-2,5,8-trione.

Molecular Properties

Compound Name6-bromo-7-methoxy-1-methyl-3-phenylquinoxaline-2,5,8-trione
PubChem CID10499684
Molecular FormulaC16H11BrN2O4
Molecular Weight375.18 g/mol
Exact Mass373.99
IUPAC Name6-bromo-7-methoxy-1-methyl-3-phenylquinoxaline-2,5,8-trione
SMILESCOC1=C(Br)C(=O)c2nc(-c3ccccc3)c(=O)n(C)c2C1=O
InChIInChI=1S/C16H11BrN2O4/c1-19-12-11(13(20)9(17)15(23-2)14(12)21)18-10(16(19)22)8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKeySFPWCJIKNKQKRM-UHFFFAOYSA-N
XLogP2.08
TPSA78.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.18
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'ene_one_hal(17)', 'substructure': 'N/A'}

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Related Compounds

3-(4-bromophenyl)-1-methylquinoxalin-2-one
CID 132610080
7-methyl-2-phenylimidazo[1,2-a]pyrazin-3-one
CID 71346482
6-bromo-1-methyl-3-phenylquinoxalin-2-one
CID 132610074
6-bromo-7-methoxyquinoxaline-5,8-dione
CID 12867784
1,5,6-trimethoxy-3-phenylpyrazin-2-one
CID 91439199
6,7-difluoro-1-methyl-3-phenylquinoxalin-2-one
CID 162418135
3-methyl-2-phenylindeno[1,2-d]imidazol-4-one
CID 86059747
7-chloro-1-methyl-3-phenylquinoxalin-2-one
CID 163364599
6,7-dimethoxy-1-methyl-4-phenylquinazolin-2-one
CID 158002363
2-methoxy-4,6-diphenylpyrimidin-5-amine
CID 624065
3,5-dibromo-6-(4-methoxyphenyl)-1-methylpyridin-2-one
CID 118610215
1-methyl-4,5-diphenylpyrimidin-2-one
CID 12523498

Frequently Asked Questions

What is the IUPAC name of 6-bromo-7-methoxy-1-methyl-3-phenylquinoxaline-2,5,8-trione?
The IUPAC name of 6-bromo-7-methoxy-1-methyl-3-phenylquinoxaline-2,5,8-trione (CID 10499684) is 6-bromo-7-methoxy-1-methyl-3-phenylquinoxaline-2,5,8-trione.
What is the SMILES notation for 6-bromo-7-methoxy-1-methyl-3-phenylquinoxaline-2,5,8-trione?
The canonical SMILES for 6-bromo-7-methoxy-1-methyl-3-phenylquinoxaline-2,5,8-trione is COC1=C(Br)C(=O)c2nc(-c3ccccc3)c(=O)n(C)c2C1=O.
What is the InChIKey of 6-bromo-7-methoxy-1-methyl-3-phenylquinoxaline-2,5,8-trione?
The InChIKey is SFPWCJIKNKQKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrN2O4/c1-19-12-11(13(20)9(17)15(23-2)14(12)21)18-10(16(19)22)8-6-4-3-5-7-8/h3-7H,1-2H3.
What are the key properties of 6-bromo-7-methoxy-1-methyl-3-phenylquinoxaline-2,5,8-trione?
6-bromo-7-methoxy-1-methyl-3-phenylquinoxaline-2,5,8-trione has a molecular weight of 375.18 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7-methoxy-1-methyl-3-phenylquinoxaline-2,5,8-trione is sourced from PubChem (CID 10499684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).