1-bromo-2-methoxyethane;1-ethyl-7-fluoro-8-(6-fluoro-1H-indol-4-yl)-4,4,9-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;1-ethyl-7-fluoro-8-[6-fluoro-1-(2-methoxyethyl)indol-4-yl]-4,4,9-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline

C50H55BrF4N10O2 — CID 159778658

About 1-bromo-2-methoxyethane;1-ethyl-7-fluoro-8-(6-fluoro-1H-indol-4-yl)-4,4,9-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;1-ethyl-7-fluoro-8-[6-fluoro-1-(2-methoxyethyl)indol-4-yl]-4,4,9-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline

1-bromo-2-methoxyethane;1-ethyl-7-fluoro-8-(6-fluoro-1H-indol-4-yl)-4,4,9-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;1-ethyl-7-fluoro-8-[6-fluoro-1-(2-methoxyethyl)indol-4-yl]-4,4,9-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline (PubChem CID 159778658) has the molecular formula C50H55BrF4N10O2 and a molecular weight of 983.95 g/mol. Its IUPAC name is 1-bromo-2-methoxyethane;1-ethyl-7-fluoro-8-(6-fluoro-1H-indol-4-yl)-4,4,9-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;1-ethyl-7-fluoro-8-[6-fluoro-1-(2-methoxyethyl)indol-4-yl]-4,4,9-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline.

Molecular Properties

• Compound Name: 1-bromo-2-methoxyethane;1-ethyl-7-fluoro-8-(6-fluoro-1H-indol-4-yl)-4,4,9-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;1-ethyl-7-fluoro-8-[6-fluoro-1-(2-methoxyethyl)indol-4-yl]-4,4,9-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline
• PubChem CID: 159778658
• Molecular Formula: C50H55BrF4N10O2
• Molecular Weight: 983.95 g/mol
• Exact Mass: 982.36
• IUPAC Name: 1-bromo-2-methoxyethane;1-ethyl-7-fluoro-8-(6-fluoro-1H-indol-4-yl)-4,4,9-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;1-ethyl-7-fluoro-8-[6-fluoro-1-(2-methoxyethyl)indol-4-yl]-4,4,9-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline
• SMILES: CCc1nnc2n1-c1c(cc(F)c(-c3cc(F)cc4[nH]ccc34)c1C)NC2(C)C.CCc1nnc2n1-c1c(cc(F)c(-c3cc(F)cc4c3ccn4CCOC)c1C)NC2(C)C.COCCBr
• InChI: InChI=1S/C25H27F2N5O.C22H21F2N5.C3H7BrO/c1-6-21-29-30-24-25(3,4)28-19-13-18(27)22(14(2)23(19)32(21)24)17-11-15(26)12-20-16(17)7-8-31(20)9-10-33-5;1-5-18-27-28-21-22(3,4)26-17-10-15(24)19(11(2)20(17)29(18)21)14-8-12(23)9-16-13(14)6-7-25-16;1-5-3-2-4/h7-8,11-13,28H,6,9-10H2,1-5H3;6-10,25-26H,5H2,1-4H3;2-3H2,1H3
• InChIKey: NHBNWTGKADTTPA-UHFFFAOYSA-N
• XLogP: 11.60
• TPSA: 124.66 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	983.95
LogP ≤ 5	11.60
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-methoxyethane;1-ethyl-7-fluoro-8-(6-fluoro-1H-indol-4-yl)-4,4,9-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;1-ethyl-7-fluoro-8-[6-fluoro-1-(2-methoxyethyl)indol-4-yl]-4,4,9-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline?

The IUPAC name of 1-bromo-2-methoxyethane;1-ethyl-7-fluoro-8-(6-fluoro-1H-indol-4-yl)-4,4,9-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;1-ethyl-7-fluoro-8-[6-fluoro-1-(2-methoxyethyl)indol-4-yl]-4,4,9-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline (CID 159778658) is 1-bromo-2-methoxyethane;1-ethyl-7-fluoro-8-(6-fluoro-1H-indol-4-yl)-4,4,9-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;1-ethyl-7-fluoro-8-[6-fluoro-1-(2-methoxyethyl)indol-4-yl]-4,4,9-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline.

What is the SMILES notation for 1-bromo-2-methoxyethane;1-ethyl-7-fluoro-8-(6-fluoro-1H-indol-4-yl)-4,4,9-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;1-ethyl-7-fluoro-8-[6-fluoro-1-(2-methoxyethyl)indol-4-yl]-4,4,9-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline?

The canonical SMILES for 1-bromo-2-methoxyethane;1-ethyl-7-fluoro-8-(6-fluoro-1H-indol-4-yl)-4,4,9-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;1-ethyl-7-fluoro-8-[6-fluoro-1-(2-methoxyethyl)indol-4-yl]-4,4,9-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline is CCc1nnc2n1-c1c(cc(F)c(-c3cc(F)cc4[nH]ccc34)c1C)NC2(C)C.CCc1nnc2n1-c1c(cc(F)c(-c3cc(F)cc4c3ccn4CCOC)c1C)NC2(C)C.COCCBr.

What is the InChIKey of 1-bromo-2-methoxyethane;1-ethyl-7-fluoro-8-(6-fluoro-1H-indol-4-yl)-4,4,9-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;1-ethyl-7-fluoro-8-[6-fluoro-1-(2-methoxyethyl)indol-4-yl]-4,4,9-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline?

The InChIKey is NHBNWTGKADTTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F2N5O.C22H21F2N5.C3H7BrO/c1-6-21-29-30-24-25(3,4)28-19-13-18(27)22(14(2)23(19)32(21)24)17-11-15(26)12-20-16(17)7-8-31(20)9-10-33-5;1-5-18-27-28-21-22(3,4)26-17-10-15(24)19(11(2)20(17)29(18)21)14-8-12(23)9-16-13(14)6-7-25-16;1-5-3-2-4/h7-8,11-13,28H,6,9-10H2,1-5H3;6-10,25-26H,5H2,1-4H3;2-3H2,1H3.

What are the key properties of 1-bromo-2-methoxyethane;1-ethyl-7-fluoro-8-(6-fluoro-1H-indol-4-yl)-4,4,9-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;1-ethyl-7-fluoro-8-[6-fluoro-1-(2-methoxyethyl)indol-4-yl]-4,4,9-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline?

1-bromo-2-methoxyethane;1-ethyl-7-fluoro-8-(6-fluoro-1H-indol-4-yl)-4,4,9-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;1-ethyl-7-fluoro-8-[6-fluoro-1-(2-methoxyethyl)indol-4-yl]-4,4,9-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline has a molecular weight of 983.95 g/mol, XLogP of 11.60, 9 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 1-bromo-2-methoxyethane;1-ethyl-7-fluoro-8-(6-fluoro-1H-indol-4-yl)-4,4,9-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;1-ethyl-7-fluoro-8-[6-fluoro-1-(2-methoxyethyl)indol-4-yl]-4,4,9-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline is sourced from PubChem (CID 159778658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).