ethyl 2-ethyl-4-(5-fluoro-2-methylbenzoyl)-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate

C23H27FN2O3 — CID 58656957

IUPACethyl 2-ethyl-4-(5-fluoro-2-methylbenzoyl)-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate
SMILESCCOC(=O)N1c2cc(C)c(C)cc2N(C(=O)c2cc(F)ccc2C)CC1CC
InChIInChI=1S/C23H27FN2O3/c1-6-18-13-25(22(27)19-12-17(24)9-8-14(19)3)20-10-15(4)16(5)11-21(20)26(18)23(28)29-7-2/h8-12,18H,6-7,13H2,1-5H3
InChIKeyOYDKUXAXSRCPKD-UHFFFAOYSA-N
MW398.48 g/mol
LogP5.15
Rot. Bonds3

About ethyl 2-ethyl-4-(5-fluoro-2-methylbenzoyl)-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate

ethyl 2-ethyl-4-(5-fluoro-2-methylbenzoyl)-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate (PubChem CID 58656957) has the molecular formula C23H27FN2O3 and a molecular weight of 398.48 g/mol. Its IUPAC name is ethyl 2-ethyl-4-(5-fluoro-2-methylbenzoyl)-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-ethyl-4-(5-fluoro-2-methylbenzoyl)-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate
PubChem CID58656957
Molecular FormulaC23H27FN2O3
Molecular Weight398.48 g/mol
Exact Mass398.20
IUPAC Nameethyl 2-ethyl-4-(5-fluoro-2-methylbenzoyl)-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate
SMILESCCOC(=O)N1c2cc(C)c(C)cc2N(C(=O)c2cc(F)ccc2C)CC1CC
InChIInChI=1S/C23H27FN2O3/c1-6-18-13-25(22(27)19-12-17(24)9-8-14(19)3)20-10-15(4)16(5)11-21(20)26(18)23(28)29-7-2/h8-12,18H,6-7,13H2,1-5H3
InChIKeyOYDKUXAXSRCPKD-UHFFFAOYSA-N
XLogP5.15
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.48
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 2-ethyl-4-(5-fluoro-2-methylbenzoyl)-6,7-dimethyl-2,3-dihydroquinoxaline-1-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 ethyl 2-ethyl-4-(5-fluoro-2-methylbenzoyl)-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate?
The IUPAC name of ethyl 2-ethyl-4-(5-fluoro-2-methylbenzoyl)-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate (CID 58656957) is ethyl 2-ethyl-4-(5-fluoro-2-methylbenzoyl)-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate.
What is the SMILES notation for ethyl 2-ethyl-4-(5-fluoro-2-methylbenzoyl)-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate?
The canonical SMILES for ethyl 2-ethyl-4-(5-fluoro-2-methylbenzoyl)-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate is CCOC(=O)N1c2cc(C)c(C)cc2N(C(=O)c2cc(F)ccc2C)CC1CC.
What is the InChIKey of ethyl 2-ethyl-4-(5-fluoro-2-methylbenzoyl)-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate?
The InChIKey is OYDKUXAXSRCPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O3/c1-6-18-13-25(22(27)19-12-17(24)9-8-14(19)3)20-10-15(4)16(5)11-21(20)26(18)23(28)29-7-2/h8-12,18H,6-7,13H2,1-5H3.
What are the key properties of ethyl 2-ethyl-4-(5-fluoro-2-methylbenzoyl)-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate?
ethyl 2-ethyl-4-(5-fluoro-2-methylbenzoyl)-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate has a molecular weight of 398.48 g/mol, XLogP of 5.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethyl-4-(5-fluoro-2-methylbenzoyl)-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate is sourced from PubChem (CID 58656957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).