ethyl 4-[2-(2-bromo-5-chlorophenyl)propan-2-yl]-2-ethyl-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate

C24H30BrClN2O2 — CID 142945246

IUPACethyl 4-[2-(2-bromo-5-chlorophenyl)propan-2-yl]-2-ethyl-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate
SMILESCCOC(=O)N1c2cc(C)c(C)cc2N(C(C)(C)c2cc(Cl)ccc2Br)CC1CC
InChIInChI=1S/C24H30BrClN2O2/c1-7-18-14-27(24(5,6)19-13-17(26)9-10-20(19)25)21-11-15(3)16(4)12-22(21)28(18)23(29)30-8-2/h9-13,18H,7-8,14H2,1-6H3
InChIKeyITNQOGOAWHNWKJ-UHFFFAOYSA-N
MW493.87 g/mol
LogP7.22
Rot. Bonds4

About ethyl 4-[2-(2-bromo-5-chlorophenyl)propan-2-yl]-2-ethyl-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate

ethyl 4-[2-(2-bromo-5-chlorophenyl)propan-2-yl]-2-ethyl-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate (PubChem CID 142945246) has the molecular formula C24H30BrClN2O2 and a molecular weight of 493.87 g/mol. Its IUPAC name is ethyl 4-[2-(2-bromo-5-chlorophenyl)propan-2-yl]-2-ethyl-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(2-bromo-5-chlorophenyl)propan-2-yl]-2-ethyl-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate
PubChem CID142945246
Molecular FormulaC24H30BrClN2O2
Molecular Weight493.87 g/mol
Exact Mass492.12
IUPAC Nameethyl 4-[2-(2-bromo-5-chlorophenyl)propan-2-yl]-2-ethyl-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate
SMILESCCOC(=O)N1c2cc(C)c(C)cc2N(C(C)(C)c2cc(Cl)ccc2Br)CC1CC
InChIInChI=1S/C24H30BrClN2O2/c1-7-18-14-27(24(5,6)19-13-17(26)9-10-20(19)25)21-11-15(3)16(4)12-22(21)28(18)23(29)30-8-2/h9-13,18H,7-8,14H2,1-6H3
InChIKeyITNQOGOAWHNWKJ-UHFFFAOYSA-N
XLogP7.22
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.87
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 4-[2-(2-bromo-5-chlorophenyl)propan-2-yl]-2-ethyl-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 4-[2-(2-bromo-5-chlorophenyl)propan-2-yl]-2-ethyl-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate?
The IUPAC name of ethyl 4-[2-(2-bromo-5-chlorophenyl)propan-2-yl]-2-ethyl-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate (CID 142945246) is ethyl 4-[2-(2-bromo-5-chlorophenyl)propan-2-yl]-2-ethyl-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-(2-bromo-5-chlorophenyl)propan-2-yl]-2-ethyl-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate?
The canonical SMILES for ethyl 4-[2-(2-bromo-5-chlorophenyl)propan-2-yl]-2-ethyl-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate is CCOC(=O)N1c2cc(C)c(C)cc2N(C(C)(C)c2cc(Cl)ccc2Br)CC1CC.
What is the InChIKey of ethyl 4-[2-(2-bromo-5-chlorophenyl)propan-2-yl]-2-ethyl-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate?
The InChIKey is ITNQOGOAWHNWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30BrClN2O2/c1-7-18-14-27(24(5,6)19-13-17(26)9-10-20(19)25)21-11-15(3)16(4)12-22(21)28(18)23(29)30-8-2/h9-13,18H,7-8,14H2,1-6H3.
What are the key properties of ethyl 4-[2-(2-bromo-5-chlorophenyl)propan-2-yl]-2-ethyl-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate?
ethyl 4-[2-(2-bromo-5-chlorophenyl)propan-2-yl]-2-ethyl-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate has a molecular weight of 493.87 g/mol, XLogP of 7.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(2-bromo-5-chlorophenyl)propan-2-yl]-2-ethyl-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate is sourced from PubChem (CID 142945246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).