(4-bromo-2-chloro-6-methylphenyl) quinoxaline-2-carboxylate

C16H10BrClN2O2 — CID 7536970

IUPAC(4-bromo-2-chloro-6-methylphenyl) quinoxaline-2-carboxylate
SMILESCc1cc(Br)cc(Cl)c1OC(=O)c1cnc2ccccc2n1
InChIInChI=1S/C16H10BrClN2O2/c1-9-6-10(17)7-11(18)15(9)22-16(21)14-8-19-12-4-2-3-5-13(12)20-14/h2-8H,1H3
InChIKeyWPJIIIKPVNRSAB-UHFFFAOYSA-N
MW377.63 g/mol
LogP4.57
Rot. Bonds2

About (4-bromo-2-chloro-6-methylphenyl) quinoxaline-2-carboxylate

(4-bromo-2-chloro-6-methylphenyl) quinoxaline-2-carboxylate (PubChem CID 7536970) has the molecular formula C16H10BrClN2O2 and a molecular weight of 377.63 g/mol. Its IUPAC name is (4-bromo-2-chloro-6-methylphenyl) quinoxaline-2-carboxylate.

Molecular Properties

Compound Name(4-bromo-2-chloro-6-methylphenyl) quinoxaline-2-carboxylate
PubChem CID7536970
Molecular FormulaC16H10BrClN2O2
Molecular Weight377.63 g/mol
Exact Mass375.96
IUPAC Name(4-bromo-2-chloro-6-methylphenyl) quinoxaline-2-carboxylate
SMILESCc1cc(Br)cc(Cl)c1OC(=O)c1cnc2ccccc2n1
InChIInChI=1S/C16H10BrClN2O2/c1-9-6-10(17)7-11(18)15(9)22-16(21)14-8-19-12-4-2-3-5-13(12)20-14/h2-8H,1H3
InChIKeyWPJIIIKPVNRSAB-UHFFFAOYSA-N
XLogP4.57
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.63
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze (4-bromo-2-chloro-6-methylphenyl) quinoxaline-2-carboxylate 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

(4-bromo-2-chloro-6-methylphenyl) pyrazine-2-carboxylate
CID 2445745
quinoxalin-2-yl quinoxaline-2-carboxylate
CID 177101519
(4-bromo-2-chloro-6-methylphenyl) acetate
CID 130685721
(4-bromo-2-chloro-6-methylphenyl) 2,5-dimethylbenzoate
CID 7920840
ethyl quinoxaline-2-carboxylate
CID 582701
(4-bromo-2,6-dimethylphenyl) 3,4-dichlorobenzoate
CID 19181611
2-(4-bromo-2-chloro-6-methylphenoxy)-1-(2-methylphenyl)ethanone
CID 63567782
1-quinoxalin-2-ylbutan-1-one
CID 14895791
[2-(4-bromo-3-methylanilino)-2-oxoethyl] quinoxaline-2-carboxylate
CID 30031003
tert-butyl quinoxaline-2-carboperoxoate
CID 19977649
(4-bromo-2-chloro-6-methylphenyl) 2-chloro-5-(diethylsulfamoyl)benzoate
CID 2673569
(4-bromo-2-chloro-6-methylphenyl) 3-(dimethylsulfamoyl)benzoate
CID 3581621

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-chloro-6-methylphenyl) quinoxaline-2-carboxylate?
The IUPAC name of (4-bromo-2-chloro-6-methylphenyl) quinoxaline-2-carboxylate (CID 7536970) is (4-bromo-2-chloro-6-methylphenyl) quinoxaline-2-carboxylate.
What is the SMILES notation for (4-bromo-2-chloro-6-methylphenyl) quinoxaline-2-carboxylate?
The canonical SMILES for (4-bromo-2-chloro-6-methylphenyl) quinoxaline-2-carboxylate is Cc1cc(Br)cc(Cl)c1OC(=O)c1cnc2ccccc2n1.
What is the InChIKey of (4-bromo-2-chloro-6-methylphenyl) quinoxaline-2-carboxylate?
The InChIKey is WPJIIIKPVNRSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrClN2O2/c1-9-6-10(17)7-11(18)15(9)22-16(21)14-8-19-12-4-2-3-5-13(12)20-14/h2-8H,1H3.
What are the key properties of (4-bromo-2-chloro-6-methylphenyl) quinoxaline-2-carboxylate?
(4-bromo-2-chloro-6-methylphenyl) quinoxaline-2-carboxylate has a molecular weight of 377.63 g/mol, XLogP of 4.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-chloro-6-methylphenyl) quinoxaline-2-carboxylate is sourced from PubChem (CID 7536970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).