benzyl 2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate;ethyl 2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate;2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxamide;3-methylbutyl 2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate

C98H93F4N13O11 — CID 158905491

About benzyl 2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate;ethyl 2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate;2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxamide;3-methylbutyl 2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate

benzyl 2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate;ethyl 2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate;2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxamide;3-methylbutyl 2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate (PubChem CID 158905491) has the molecular formula C98H93F4N13O11 and a molecular weight of 1704.89 g/mol. Its IUPAC name is benzyl 2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate;ethyl 2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate;2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxamide;3-methylbutyl 2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate.

Molecular Properties

• Compound Name: benzyl 2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate;ethyl 2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate;2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxamide;3-methylbutyl 2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate
• PubChem CID: 158905491
• Molecular Formula: C98H93F4N13O11
• Molecular Weight: 1704.89 g/mol
• Exact Mass: 1703.71
• IUPAC Name: benzyl 2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate;ethyl 2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate;2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxamide;3-methylbutyl 2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate
• SMILES: CC(C)CCOC(=O)c1ccc2nc(-c3cc4cc(F)ccc4o3)c(N(C)C(C)C)nc2c1.CC(C)N(C)c1nc2cc(C(=O)OCc3ccccc3)ccc2nc1-c1cc2cc(F)ccc2o1.CC(C)N(C)c1nc2cc(C(N)=O)ccc2nc1-c1cc2cc(F)ccc2o1.CCOC(=O)c1ccc2nc(-c3cc4cc(F)ccc4o3)c(N(C)C(C)C)nc2c1
• InChI: InChI=1S/C28H24FN3O3.C26H28FN3O3.C23H22FN3O3.C21H19FN4O2/c1-17(2)32(3)27-26(25-15-20-13-21(29)10-12-24(20)35-25)30-22-11-9-19(14-23(22)31-27)28(33)34-16-18-7-5-4-6-8-18;1-15(2)10-11-32-26(31)17-6-8-20-21(13-17)29-25(30(5)16(3)4)24(28-20)23-14-18-12-19(27)7-9-22(18)33-23;1-5-29-23(28)14-6-8-17-18(11-14)26-22(27(4)13(2)3)21(25-17)20-12-15-10-16(24)7-9-19(15)30-20;1-11(2)26(3)21-19(18-10-13-8-14(22)5-7-17(13)28-18)24-15-6-4-12(20(23)27)9-16(15)25-21/h4-15,17H,16H2,1-3H3;6-9,12-16H,10-11H2,1-5H3;6-13H,5H2,1-4H3;4-11H,1-3H3,(H2,23,27)
• InChIKey: JFZLDKQMMNMBOK-UHFFFAOYSA-N
• XLogP: 21.94
• TPSA: 290.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 23
• Rotatable Bonds: 22
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1704.89
LogP ≤ 5	21.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of benzyl 2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate;ethyl 2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate;2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxamide;3-methylbutyl 2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate?

The IUPAC name of benzyl 2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate;ethyl 2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate;2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxamide;3-methylbutyl 2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate (CID 158905491) is benzyl 2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate;ethyl 2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate;2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxamide;3-methylbutyl 2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate.

What is the SMILES notation for benzyl 2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate;ethyl 2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate;2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxamide;3-methylbutyl 2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate?

The canonical SMILES for benzyl 2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate;ethyl 2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate;2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxamide;3-methylbutyl 2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate is CC(C)CCOC(=O)c1ccc2nc(-c3cc4cc(F)ccc4o3)c(N(C)C(C)C)nc2c1.CC(C)N(C)c1nc2cc(C(=O)OCc3ccccc3)ccc2nc1-c1cc2cc(F)ccc2o1.CC(C)N(C)c1nc2cc(C(N)=O)ccc2nc1-c1cc2cc(F)ccc2o1.CCOC(=O)c1ccc2nc(-c3cc4cc(F)ccc4o3)c(N(C)C(C)C)nc2c1.

What is the InChIKey of benzyl 2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate;ethyl 2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate;2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxamide;3-methylbutyl 2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate?

The InChIKey is JFZLDKQMMNMBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24FN3O3.C26H28FN3O3.C23H22FN3O3.C21H19FN4O2/c1-17(2)32(3)27-26(25-15-20-13-21(29)10-12-24(20)35-25)30-22-11-9-19(14-23(22)31-27)28(33)34-16-18-7-5-4-6-8-18;1-15(2)10-11-32-26(31)17-6-8-20-21(13-17)29-25(30(5)16(3)4)24(28-20)23-14-18-12-19(27)7-9-22(18)33-23;1-5-29-23(28)14-6-8-17-18(11-14)26-22(27(4)13(2)3)21(25-17)20-12-15-10-16(24)7-9-19(15)30-20;1-11(2)26(3)21-19(18-10-13-8-14(22)5-7-17(13)28-18)24-15-6-4-12(20(23)27)9-16(15)25-21/h4-15,17H,16H2,1-3H3;6-9,12-16H,10-11H2,1-5H3;6-13H,5H2,1-4H3;4-11H,1-3H3,(H2,23,27).

What are the key properties of benzyl 2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate;ethyl 2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate;2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxamide;3-methylbutyl 2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate?

benzyl 2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate;ethyl 2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate;2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxamide;3-methylbutyl 2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate has a molecular weight of 1704.89 g/mol, XLogP of 21.94, 22 rotatable bonds, 1 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl 2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate;ethyl 2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate;2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxamide;3-methylbutyl 2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate is sourced from PubChem (CID 158905491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).