ethyl 3-(3-chloro-4-fluoroanilino)quinoxaline-2-carboxylate

C17H13ClFN3O2 — CID 50764986

IUPACethyl 3-(3-chloro-4-fluoroanilino)quinoxaline-2-carboxylate
SMILESCCOC(=O)c1nc2ccccc2nc1Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C17H13ClFN3O2/c1-2-24-17(23)15-16(20-10-7-8-12(19)11(18)9-10)22-14-6-4-3-5-13(14)21-15/h3-9H,2H2,1H3,(H,20,22)
InChIKeyWRIFLNIGBYLLEQ-UHFFFAOYSA-N
MW345.76 g/mol
LogP4.34
Rot. Bonds4

About ethyl 3-(3-chloro-4-fluoroanilino)quinoxaline-2-carboxylate

ethyl 3-(3-chloro-4-fluoroanilino)quinoxaline-2-carboxylate (PubChem CID 50764986) has the molecular formula C17H13ClFN3O2 and a molecular weight of 345.76 g/mol. Its IUPAC name is ethyl 3-(3-chloro-4-fluoroanilino)quinoxaline-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-(3-chloro-4-fluoroanilino)quinoxaline-2-carboxylate
PubChem CID50764986
Molecular FormulaC17H13ClFN3O2
Molecular Weight345.76 g/mol
Exact Mass345.07
IUPAC Nameethyl 3-(3-chloro-4-fluoroanilino)quinoxaline-2-carboxylate
SMILESCCOC(=O)c1nc2ccccc2nc1Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C17H13ClFN3O2/c1-2-24-17(23)15-16(20-10-7-8-12(19)11(18)9-10)22-14-6-4-3-5-13(14)21-15/h3-9H,2H2,1H3,(H,20,22)
InChIKeyWRIFLNIGBYLLEQ-UHFFFAOYSA-N
XLogP4.34
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.76
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 3-(3-chloro-4-fluoroanilino)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

ethyl 3-(3,4-difluoroanilino)quinoxaline-2-carboxylate
CID 50764897
[(2R)-oxolan-2-yl]methyl 3-(3-chloro-4-fluoroanilino)quinoxaline-2-carboxylate
CID 94070055
4-[(3-ethoxycarbonylquinoxalin-2-yl)amino]benzoic acid
CID 59113312
ethyl 3-(3-chloroanilino)-6,7-dimethylquinoxaline-2-carboxylate
CID 50764977
ethyl 2-(3-chloro-4-fluoroanilino)pyridine-3-carboxylate
CID 28938472
ethyl 3-(5-fluoro-2-methylanilino)quinoxaline-2-carboxylate
CID 50764877
3-N-(3-chloro-4-fluorophenyl)quinoxaline-2,3-diamine
CID 102983660
propan-2-yl 3-(3-chloro-4-methylanilino)quinoxaline-2-carboxylate
CID 50765149
ethyl 3-(2,4-dimethylanilino)quinoxaline-2-carboxylate
CID 50764997
ethyl 3-[(3-chloro-4-fluorophenyl)carbamoyl]pyrazine-2-carboxylate
CID 23633120
ethyl 3-[[3-[(4-chlorophenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoate
CID 1402949
ethyl 4-[(3-methylquinoxalin-2-yl)amino]benzoate
CID 91124666

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3-chloro-4-fluoroanilino)quinoxaline-2-carboxylate?
The IUPAC name of ethyl 3-(3-chloro-4-fluoroanilino)quinoxaline-2-carboxylate (CID 50764986) is ethyl 3-(3-chloro-4-fluoroanilino)quinoxaline-2-carboxylate.
What is the SMILES notation for ethyl 3-(3-chloro-4-fluoroanilino)quinoxaline-2-carboxylate?
The canonical SMILES for ethyl 3-(3-chloro-4-fluoroanilino)quinoxaline-2-carboxylate is CCOC(=O)c1nc2ccccc2nc1Nc1ccc(F)c(Cl)c1.
What is the InChIKey of ethyl 3-(3-chloro-4-fluoroanilino)quinoxaline-2-carboxylate?
The InChIKey is WRIFLNIGBYLLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFN3O2/c1-2-24-17(23)15-16(20-10-7-8-12(19)11(18)9-10)22-14-6-4-3-5-13(14)21-15/h3-9H,2H2,1H3,(H,20,22).
What are the key properties of ethyl 3-(3-chloro-4-fluoroanilino)quinoxaline-2-carboxylate?
ethyl 3-(3-chloro-4-fluoroanilino)quinoxaline-2-carboxylate has a molecular weight of 345.76 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3-chloro-4-fluoroanilino)quinoxaline-2-carboxylate is sourced from PubChem (CID 50764986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).