tetrakis(carbon dioxide);3-chloro-2-(3-fluorophenyl)-6-methylquinoxaline;ethyl 2-(3-fluorophenyl)-2-oxoacetate;2-(3-fluorophenyl)-6-methyl-3-nonylquinoxaline;2-(3-fluorophenyl)-6-methyl-4H-quinolin-3-one;2-(3-fluorophenyl)-3-nonylquinoxaline;2-(3-fluorophenyl)-2-oxoacetic acid

C100H92ClF6N7O15 — CID 158368652

About tetrakis(carbon dioxide);3-chloro-2-(3-fluorophenyl)-6-methylquinoxaline;ethyl 2-(3-fluorophenyl)-2-oxoacetate;2-(3-fluorophenyl)-6-methyl-3-nonylquinoxaline;2-(3-fluorophenyl)-6-methyl-4H-quinolin-3-one;2-(3-fluorophenyl)-3-nonylquinoxaline;2-(3-fluorophenyl)-2-oxoacetic acid

tetrakis(carbon dioxide);3-chloro-2-(3-fluorophenyl)-6-methylquinoxaline;ethyl 2-(3-fluorophenyl)-2-oxoacetate;2-(3-fluorophenyl)-6-methyl-3-nonylquinoxaline;2-(3-fluorophenyl)-6-methyl-4H-quinolin-3-one;2-(3-fluorophenyl)-3-nonylquinoxaline;2-(3-fluorophenyl)-2-oxoacetic acid (PubChem CID 158368652) has the molecular formula C100H92ClF6N7O15 and a molecular weight of 1781.31 g/mol. Its IUPAC name is tetrakis(carbon dioxide);3-chloro-2-(3-fluorophenyl)-6-methylquinoxaline;ethyl 2-(3-fluorophenyl)-2-oxoacetate;2-(3-fluorophenyl)-6-methyl-3-nonylquinoxaline;2-(3-fluorophenyl)-6-methyl-4H-quinolin-3-one;2-(3-fluorophenyl)-3-nonylquinoxaline;2-(3-fluorophenyl)-2-oxoacetic acid.

Molecular Properties

• Compound Name: tetrakis(carbon dioxide);3-chloro-2-(3-fluorophenyl)-6-methylquinoxaline;ethyl 2-(3-fluorophenyl)-2-oxoacetate;2-(3-fluorophenyl)-6-methyl-3-nonylquinoxaline;2-(3-fluorophenyl)-6-methyl-4H-quinolin-3-one;2-(3-fluorophenyl)-3-nonylquinoxaline;2-(3-fluorophenyl)-2-oxoacetic acid
• PubChem CID: 158368652
• Molecular Formula: C100H92ClF6N7O15
• Molecular Weight: 1781.31 g/mol
• Exact Mass: 1779.62
• IUPAC Name: tetrakis(carbon dioxide);3-chloro-2-(3-fluorophenyl)-6-methylquinoxaline;ethyl 2-(3-fluorophenyl)-2-oxoacetate;2-(3-fluorophenyl)-6-methyl-3-nonylquinoxaline;2-(3-fluorophenyl)-6-methyl-4H-quinolin-3-one;2-(3-fluorophenyl)-3-nonylquinoxaline;2-(3-fluorophenyl)-2-oxoacetic acid
• SMILES: CCCCCCCCCc1nc2cc(C)ccc2nc1-c1cccc(F)c1.CCCCCCCCCc1nc2ccccc2nc1-c1cccc(F)c1.CCOC(=O)C(=O)c1cccc(F)c1.Cc1ccc2c(c1)CC(=O)C(c1cccc(F)c1)=N2.Cc1ccc2nc(-c3cccc(F)c3)c(Cl)nc2c1.O=C(O)C(=O)c1cccc(F)c1.O=C=O.O=C=O.O=C=O.O=C=O
• InChI: InChI=1S/C24H29FN2.C23H27FN2.C16H12FNO.C15H10ClFN2.C10H9FO3.C8H5FO3.4CO2/c1-3-4-5-6-7-8-9-13-22-24(19-11-10-12-20(25)17-19)27-21-15-14-18(2)16-23(21)26-22;1-2-3-4-5-6-7-8-16-22-23(18-12-11-13-19(24)17-18)26-21-15-10-9-14-20(21)25-22;1-10-5-6-14-12(7-10)9-15(19)16(18-14)11-3-2-4-13(17)8-11;1-9-5-6-12-13(7-9)19-15(16)14(18-12)10-3-2-4-11(17)8-10;1-2-14-10(13)9(12)7-4-3-5-8(11)6-7;9-6-3-1-2-5(4-6)7(10)8(11)12;4*2-1-3/h10-12,14-17H,3-9,13H2,1-2H3;9-15,17H,2-8,16H2,1H3;2-8H,9H2,1H3;2-8H,1H3;3-6H,2H2,1H3;1-4H,(H,11,12)
• InChIKey: GUIKBOYJEJQKGY-UHFFFAOYSA-N
• XLogP: 21.87
• TPSA: 341.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 21
• Rotatable Bonds: 25
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1781.31
LogP ≤ 5	21.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tetrakis(carbon dioxide);3-chloro-2-(3-fluorophenyl)-6-methylquinoxaline;ethyl 2-(3-fluorophenyl)-2-oxoacetate;2-(3-fluorophenyl)-6-methyl-3-nonylquinoxaline;2-(3-fluorophenyl)-6-methyl-4H-quinolin-3-one;2-(3-fluorophenyl)-3-nonylquinoxaline;2-(3-fluorophenyl)-2-oxoacetic acid?

The IUPAC name of tetrakis(carbon dioxide);3-chloro-2-(3-fluorophenyl)-6-methylquinoxaline;ethyl 2-(3-fluorophenyl)-2-oxoacetate;2-(3-fluorophenyl)-6-methyl-3-nonylquinoxaline;2-(3-fluorophenyl)-6-methyl-4H-quinolin-3-one;2-(3-fluorophenyl)-3-nonylquinoxaline;2-(3-fluorophenyl)-2-oxoacetic acid (CID 158368652) is tetrakis(carbon dioxide);3-chloro-2-(3-fluorophenyl)-6-methylquinoxaline;ethyl 2-(3-fluorophenyl)-2-oxoacetate;2-(3-fluorophenyl)-6-methyl-3-nonylquinoxaline;2-(3-fluorophenyl)-6-methyl-4H-quinolin-3-one;2-(3-fluorophenyl)-3-nonylquinoxaline;2-(3-fluorophenyl)-2-oxoacetic acid.

What is the SMILES notation for tetrakis(carbon dioxide);3-chloro-2-(3-fluorophenyl)-6-methylquinoxaline;ethyl 2-(3-fluorophenyl)-2-oxoacetate;2-(3-fluorophenyl)-6-methyl-3-nonylquinoxaline;2-(3-fluorophenyl)-6-methyl-4H-quinolin-3-one;2-(3-fluorophenyl)-3-nonylquinoxaline;2-(3-fluorophenyl)-2-oxoacetic acid?

The canonical SMILES for tetrakis(carbon dioxide);3-chloro-2-(3-fluorophenyl)-6-methylquinoxaline;ethyl 2-(3-fluorophenyl)-2-oxoacetate;2-(3-fluorophenyl)-6-methyl-3-nonylquinoxaline;2-(3-fluorophenyl)-6-methyl-4H-quinolin-3-one;2-(3-fluorophenyl)-3-nonylquinoxaline;2-(3-fluorophenyl)-2-oxoacetic acid is CCCCCCCCCc1nc2cc(C)ccc2nc1-c1cccc(F)c1.CCCCCCCCCc1nc2ccccc2nc1-c1cccc(F)c1.CCOC(=O)C(=O)c1cccc(F)c1.Cc1ccc2c(c1)CC(=O)C(c1cccc(F)c1)=N2.Cc1ccc2nc(-c3cccc(F)c3)c(Cl)nc2c1.O=C(O)C(=O)c1cccc(F)c1.O=C=O.O=C=O.O=C=O.O=C=O.

What is the InChIKey of tetrakis(carbon dioxide);3-chloro-2-(3-fluorophenyl)-6-methylquinoxaline;ethyl 2-(3-fluorophenyl)-2-oxoacetate;2-(3-fluorophenyl)-6-methyl-3-nonylquinoxaline;2-(3-fluorophenyl)-6-methyl-4H-quinolin-3-one;2-(3-fluorophenyl)-3-nonylquinoxaline;2-(3-fluorophenyl)-2-oxoacetic acid?

The InChIKey is GUIKBOYJEJQKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN2.C23H27FN2.C16H12FNO.C15H10ClFN2.C10H9FO3.C8H5FO3.4CO2/c1-3-4-5-6-7-8-9-13-22-24(19-11-10-12-20(25)17-19)27-21-15-14-18(2)16-23(21)26-22;1-2-3-4-5-6-7-8-16-22-23(18-12-11-13-19(24)17-18)26-21-15-10-9-14-20(21)25-22;1-10-5-6-14-12(7-10)9-15(19)16(18-14)11-3-2-4-13(17)8-11;1-9-5-6-12-13(7-9)19-15(16)14(18-12)10-3-2-4-11(17)8-10;1-2-14-10(13)9(12)7-4-3-5-8(11)6-7;9-6-3-1-2-5(4-6)7(10)8(11)12;4*2-1-3/h10-12,14-17H,3-9,13H2,1-2H3;9-15,17H,2-8,16H2,1H3;2-8H,9H2,1H3;2-8H,1H3;3-6H,2H2,1H3;1-4H,(H,11,12);;;;.

What are the key properties of tetrakis(carbon dioxide);3-chloro-2-(3-fluorophenyl)-6-methylquinoxaline;ethyl 2-(3-fluorophenyl)-2-oxoacetate;2-(3-fluorophenyl)-6-methyl-3-nonylquinoxaline;2-(3-fluorophenyl)-6-methyl-4H-quinolin-3-one;2-(3-fluorophenyl)-3-nonylquinoxaline;2-(3-fluorophenyl)-2-oxoacetic acid?

tetrakis(carbon dioxide);3-chloro-2-(3-fluorophenyl)-6-methylquinoxaline;ethyl 2-(3-fluorophenyl)-2-oxoacetate;2-(3-fluorophenyl)-6-methyl-3-nonylquinoxaline;2-(3-fluorophenyl)-6-methyl-4H-quinolin-3-one;2-(3-fluorophenyl)-3-nonylquinoxaline;2-(3-fluorophenyl)-2-oxoacetic acid has a molecular weight of 1781.31 g/mol, XLogP of 21.87, 25 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for tetrakis(carbon dioxide);3-chloro-2-(3-fluorophenyl)-6-methylquinoxaline;ethyl 2-(3-fluorophenyl)-2-oxoacetate;2-(3-fluorophenyl)-6-methyl-3-nonylquinoxaline;2-(3-fluorophenyl)-6-methyl-4H-quinolin-3-one;2-(3-fluorophenyl)-3-nonylquinoxaline;2-(3-fluorophenyl)-2-oxoacetic acid is sourced from PubChem (CID 158368652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).