(3-fluorophenyl)methyl 2,3-dimethylquinoxaline-6-carboxylate

C18H15FN2O2 — CID 2995150

IUPAC(3-fluorophenyl)methyl 2,3-dimethylquinoxaline-6-carboxylate
SMILESCc1nc2ccc(C(=O)OCc3cccc(F)c3)cc2nc1C
InChIInChI=1S/C18H15FN2O2/c1-11-12(2)21-17-9-14(6-7-16(17)20-11)18(22)23-10-13-4-3-5-15(19)8-13/h3-9H,10H2,1-2H3
InChIKeyHDGJLBYMHNFSAT-UHFFFAOYSA-N
MW310.33 g/mol
LogP3.74
Rot. Bonds3

About (3-fluorophenyl)methyl 2,3-dimethylquinoxaline-6-carboxylate

(3-fluorophenyl)methyl 2,3-dimethylquinoxaline-6-carboxylate (PubChem CID 2995150) has the molecular formula C18H15FN2O2 and a molecular weight of 310.33 g/mol. Its IUPAC name is (3-fluorophenyl)methyl 2,3-dimethylquinoxaline-6-carboxylate.

Molecular Properties

Compound Name(3-fluorophenyl)methyl 2,3-dimethylquinoxaline-6-carboxylate
PubChem CID2995150
Molecular FormulaC18H15FN2O2
Molecular Weight310.33 g/mol
Exact Mass310.11
IUPAC Name(3-fluorophenyl)methyl 2,3-dimethylquinoxaline-6-carboxylate
SMILESCc1nc2ccc(C(=O)OCc3cccc(F)c3)cc2nc1C
InChIInChI=1S/C18H15FN2O2/c1-11-12(2)21-17-9-14(6-7-16(17)20-11)18(22)23-10-13-4-3-5-15(19)8-13/h3-9H,10H2,1-2H3
InChIKeyHDGJLBYMHNFSAT-UHFFFAOYSA-N
XLogP3.74
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3-fluorophenyl)methyl 2,3-dimethylquinoxaline-6-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)methyl 2,3-dimethylquinoxaline-6-carboxylate?
The IUPAC name of (3-fluorophenyl)methyl 2,3-dimethylquinoxaline-6-carboxylate (CID 2995150) is (3-fluorophenyl)methyl 2,3-dimethylquinoxaline-6-carboxylate.
What is the SMILES notation for (3-fluorophenyl)methyl 2,3-dimethylquinoxaline-6-carboxylate?
The canonical SMILES for (3-fluorophenyl)methyl 2,3-dimethylquinoxaline-6-carboxylate is Cc1nc2ccc(C(=O)OCc3cccc(F)c3)cc2nc1C.
What is the InChIKey of (3-fluorophenyl)methyl 2,3-dimethylquinoxaline-6-carboxylate?
The InChIKey is HDGJLBYMHNFSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O2/c1-11-12(2)21-17-9-14(6-7-16(17)20-11)18(22)23-10-13-4-3-5-15(19)8-13/h3-9H,10H2,1-2H3.
What are the key properties of (3-fluorophenyl)methyl 2,3-dimethylquinoxaline-6-carboxylate?
(3-fluorophenyl)methyl 2,3-dimethylquinoxaline-6-carboxylate has a molecular weight of 310.33 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)methyl 2,3-dimethylquinoxaline-6-carboxylate is sourced from PubChem (CID 2995150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).