ethyl 5-[(9-bromo-2,3-dimethylindolo[3,2-b]quinoxalin-6-yl)methyl]furan-2-carboxylate

C24H20BrN3O3 — CID 5001969

IUPACethyl 5-[(9-bromo-2,3-dimethylindolo[3,2-b]quinoxalin-6-yl)methyl]furan-2-carboxylate
SMILESCCOC(=O)c1ccc(Cn2c3ccc(Br)cc3c3nc4cc(C)c(C)cc4nc32)o1
InChIInChI=1S/C24H20BrN3O3/c1-4-30-24(29)21-8-6-16(31-21)12-28-20-7-5-15(25)11-17(20)22-23(28)27-19-10-14(3)13(2)9-18(19)26-22/h5-11H,4,12H2,1-3H3
InChIKeyQOCSALPCOOSXBX-UHFFFAOYSA-N
MW478.35 g/mol
LogP5.94
Rot. Bonds4

About ethyl 5-[(9-bromo-2,3-dimethylindolo[3,2-b]quinoxalin-6-yl)methyl]furan-2-carboxylate

ethyl 5-[(9-bromo-2,3-dimethylindolo[3,2-b]quinoxalin-6-yl)methyl]furan-2-carboxylate (PubChem CID 5001969) has the molecular formula C24H20BrN3O3 and a molecular weight of 478.35 g/mol. Its IUPAC name is ethyl 5-[(9-bromo-2,3-dimethylindolo[3,2-b]quinoxalin-6-yl)methyl]furan-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(9-bromo-2,3-dimethylindolo[3,2-b]quinoxalin-6-yl)methyl]furan-2-carboxylate
PubChem CID5001969
Molecular FormulaC24H20BrN3O3
Molecular Weight478.35 g/mol
Exact Mass477.07
IUPAC Nameethyl 5-[(9-bromo-2,3-dimethylindolo[3,2-b]quinoxalin-6-yl)methyl]furan-2-carboxylate
SMILESCCOC(=O)c1ccc(Cn2c3ccc(Br)cc3c3nc4cc(C)c(C)cc4nc32)o1
InChIInChI=1S/C24H20BrN3O3/c1-4-30-24(29)21-8-6-16(31-21)12-28-20-7-5-15(25)11-17(20)22-23(28)27-19-10-14(3)13(2)9-18(19)26-22/h5-11H,4,12H2,1-3H3
InChIKeyQOCSALPCOOSXBX-UHFFFAOYSA-N
XLogP5.94
TPSA70.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.35
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 5-[(9-bromo-2,3-dimethylindolo[3,2-b]quinoxalin-6-yl)methyl]furan-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

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(9-bromo-2,3-dimethylindolo[3,2-b]quinoxalin-6-yl)methyl]furan-2-carboxylate?
The IUPAC name of ethyl 5-[(9-bromo-2,3-dimethylindolo[3,2-b]quinoxalin-6-yl)methyl]furan-2-carboxylate (CID 5001969) is ethyl 5-[(9-bromo-2,3-dimethylindolo[3,2-b]quinoxalin-6-yl)methyl]furan-2-carboxylate.
What is the SMILES notation for ethyl 5-[(9-bromo-2,3-dimethylindolo[3,2-b]quinoxalin-6-yl)methyl]furan-2-carboxylate?
The canonical SMILES for ethyl 5-[(9-bromo-2,3-dimethylindolo[3,2-b]quinoxalin-6-yl)methyl]furan-2-carboxylate is CCOC(=O)c1ccc(Cn2c3ccc(Br)cc3c3nc4cc(C)c(C)cc4nc32)o1.
What is the InChIKey of ethyl 5-[(9-bromo-2,3-dimethylindolo[3,2-b]quinoxalin-6-yl)methyl]furan-2-carboxylate?
The InChIKey is QOCSALPCOOSXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20BrN3O3/c1-4-30-24(29)21-8-6-16(31-21)12-28-20-7-5-15(25)11-17(20)22-23(28)27-19-10-14(3)13(2)9-18(19)26-22/h5-11H,4,12H2,1-3H3.
What are the key properties of ethyl 5-[(9-bromo-2,3-dimethylindolo[3,2-b]quinoxalin-6-yl)methyl]furan-2-carboxylate?
ethyl 5-[(9-bromo-2,3-dimethylindolo[3,2-b]quinoxalin-6-yl)methyl]furan-2-carboxylate has a molecular weight of 478.35 g/mol, XLogP of 5.94, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(9-bromo-2,3-dimethylindolo[3,2-b]quinoxalin-6-yl)methyl]furan-2-carboxylate is sourced from PubChem (CID 5001969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).