3-chloro-2-(4-fluorophenyl)quinoxaline-6-carbonyl chloride;1-[3-chloro-2-(4-fluorophenyl)quinoxalin-6-yl]ethanone;2-(4-fluorophenyl)-3-oxo-4H-quinoline-6-carboxylic acid;methyl 3,4-diaminobenzoate;methyl 2-(4-fluorophenyl)-2-oxoacetate;methyl 2-(4-fluorophenyl)-3-oxo-4H-quinoline-6-carboxylate;methyl 3-(4-fluorophenyl)-2-oxo-1H-quinoxaline-6-carboxylate

C97H67Cl3F6N10O16 — CID 162081731

About 3-chloro-2-(4-fluorophenyl)quinoxaline-6-carbonyl chloride;1-[3-chloro-2-(4-fluorophenyl)quinoxalin-6-yl]ethanone;2-(4-fluorophenyl)-3-oxo-4H-quinoline-6-carboxylic acid;methyl 3,4-diaminobenzoate;methyl 2-(4-fluorophenyl)-2-oxoacetate;methyl 2-(4-fluorophenyl)-3-oxo-4H-quinoline-6-carboxylate;methyl 3-(4-fluorophenyl)-2-oxo-1H-quinoxaline-6-carboxylate

3-chloro-2-(4-fluorophenyl)quinoxaline-6-carbonyl chloride;1-[3-chloro-2-(4-fluorophenyl)quinoxalin-6-yl]ethanone;2-(4-fluorophenyl)-3-oxo-4H-quinoline-6-carboxylic acid;methyl 3,4-diaminobenzoate;methyl 2-(4-fluorophenyl)-2-oxoacetate;methyl 2-(4-fluorophenyl)-3-oxo-4H-quinoline-6-carboxylate;methyl 3-(4-fluorophenyl)-2-oxo-1H-quinoxaline-6-carboxylate (PubChem CID 162081731) has the molecular formula C97H67Cl3F6N10O16 and a molecular weight of 1849.00 g/mol. Its IUPAC name is 3-chloro-2-(4-fluorophenyl)quinoxaline-6-carbonyl chloride;1-[3-chloro-2-(4-fluorophenyl)quinoxalin-6-yl]ethanone;2-(4-fluorophenyl)-3-oxo-4H-quinoline-6-carboxylic acid;methyl 3,4-diaminobenzoate;methyl 2-(4-fluorophenyl)-2-oxoacetate;methyl 2-(4-fluorophenyl)-3-oxo-4H-quinoline-6-carboxylate;methyl 3-(4-fluorophenyl)-2-oxo-1H-quinoxaline-6-carboxylate.

Molecular Properties

• Compound Name: 3-chloro-2-(4-fluorophenyl)quinoxaline-6-carbonyl chloride;1-[3-chloro-2-(4-fluorophenyl)quinoxalin-6-yl]ethanone;2-(4-fluorophenyl)-3-oxo-4H-quinoline-6-carboxylic acid;methyl 3,4-diaminobenzoate;methyl 2-(4-fluorophenyl)-2-oxoacetate;methyl 2-(4-fluorophenyl)-3-oxo-4H-quinoline-6-carboxylate;methyl 3-(4-fluorophenyl)-2-oxo-1H-quinoxaline-6-carboxylate
• PubChem CID: 162081731
• Molecular Formula: C97H67Cl3F6N10O16
• Molecular Weight: 1849.00 g/mol
• Exact Mass: 1846.37
• IUPAC Name: 3-chloro-2-(4-fluorophenyl)quinoxaline-6-carbonyl chloride;1-[3-chloro-2-(4-fluorophenyl)quinoxalin-6-yl]ethanone;2-(4-fluorophenyl)-3-oxo-4H-quinoline-6-carboxylic acid;methyl 3,4-diaminobenzoate;methyl 2-(4-fluorophenyl)-2-oxoacetate;methyl 2-(4-fluorophenyl)-3-oxo-4H-quinoline-6-carboxylate;methyl 3-(4-fluorophenyl)-2-oxo-1H-quinoxaline-6-carboxylate
• SMILES: CC(=O)c1ccc2nc(-c3ccc(F)cc3)c(Cl)nc2c1.COC(=O)C(=O)c1ccc(F)cc1.COC(=O)c1ccc(N)c(N)c1.COC(=O)c1ccc2[nH]c(=O)c(-c3ccc(F)cc3)nc2c1.COC(=O)c1ccc2c(c1)CC(=O)C(c1ccc(F)cc1)=N2.O=C(Cl)c1ccc2nc(-c3ccc(F)cc3)c(Cl)nc2c1.O=C1Cc2cc(C(=O)O)ccc2N=C1c1ccc(F)cc1
• InChI: InChI=1S/C17H12FNO3.C16H10ClFN2O.C16H11FN2O3.C16H10FNO3.C15H7Cl2FN2O.C9H7FO3.C8H10N2O2/c1-22-17(21)11-4-7-14-12(8-11)9-15(20)16(19-14)10-2-5-13(18)6-3-10;1-9(21)11-4-7-13-14(8-11)20-16(17)15(19-13)10-2-5-12(18)6-3-10;1-22-16(21)10-4-7-12-13(8-10)18-14(15(20)19-12)9-2-5-11(17)6-3-9;17-12-4-1-9(2-5-12)15-14(19)8-11-7-10(16(20)21)3-6-13(11)18-15;16-14-13(8-1-4-10(18)5-2-8)19-11-6-3-9(15(17)21)7-12(11)20-14;1-13-9(12)8(11)6-2-4-7(10)5-3-6;1-12-8(11)5-2-3-6(9)7(10)4-5/h2-8H,9H2,1H3;2-8H,1H3;2-8H,1H3,(H,19,20);1-7H,8H2,(H,20,21);1-7H;2-5H,1H3;2-4H,9-10H2,1H3
• InChIKey: ZCKXBUDHNWMVNT-UHFFFAOYSA-N
• XLogP: 18.72
• TPSA: 401.92 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 24
• Rotatable Bonds: 13
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1849.00
LogP ≤ 5	18.72
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(4-fluorophenyl)quinoxaline-6-carbonyl chloride;1-[3-chloro-2-(4-fluorophenyl)quinoxalin-6-yl]ethanone;2-(4-fluorophenyl)-3-oxo-4H-quinoline-6-carboxylic acid;methyl 3,4-diaminobenzoate;methyl 2-(4-fluorophenyl)-2-oxoacetate;methyl 2-(4-fluorophenyl)-3-oxo-4H-quinoline-6-carboxylate;methyl 3-(4-fluorophenyl)-2-oxo-1H-quinoxaline-6-carboxylate?

The IUPAC name of 3-chloro-2-(4-fluorophenyl)quinoxaline-6-carbonyl chloride;1-[3-chloro-2-(4-fluorophenyl)quinoxalin-6-yl]ethanone;2-(4-fluorophenyl)-3-oxo-4H-quinoline-6-carboxylic acid;methyl 3,4-diaminobenzoate;methyl 2-(4-fluorophenyl)-2-oxoacetate;methyl 2-(4-fluorophenyl)-3-oxo-4H-quinoline-6-carboxylate;methyl 3-(4-fluorophenyl)-2-oxo-1H-quinoxaline-6-carboxylate (CID 162081731) is 3-chloro-2-(4-fluorophenyl)quinoxaline-6-carbonyl chloride;1-[3-chloro-2-(4-fluorophenyl)quinoxalin-6-yl]ethanone;2-(4-fluorophenyl)-3-oxo-4H-quinoline-6-carboxylic acid;methyl 3,4-diaminobenzoate;methyl 2-(4-fluorophenyl)-2-oxoacetate;methyl 2-(4-fluorophenyl)-3-oxo-4H-quinoline-6-carboxylate;methyl 3-(4-fluorophenyl)-2-oxo-1H-quinoxaline-6-carboxylate.

What is the SMILES notation for 3-chloro-2-(4-fluorophenyl)quinoxaline-6-carbonyl chloride;1-[3-chloro-2-(4-fluorophenyl)quinoxalin-6-yl]ethanone;2-(4-fluorophenyl)-3-oxo-4H-quinoline-6-carboxylic acid;methyl 3,4-diaminobenzoate;methyl 2-(4-fluorophenyl)-2-oxoacetate;methyl 2-(4-fluorophenyl)-3-oxo-4H-quinoline-6-carboxylate;methyl 3-(4-fluorophenyl)-2-oxo-1H-quinoxaline-6-carboxylate?

The canonical SMILES for 3-chloro-2-(4-fluorophenyl)quinoxaline-6-carbonyl chloride;1-[3-chloro-2-(4-fluorophenyl)quinoxalin-6-yl]ethanone;2-(4-fluorophenyl)-3-oxo-4H-quinoline-6-carboxylic acid;methyl 3,4-diaminobenzoate;methyl 2-(4-fluorophenyl)-2-oxoacetate;methyl 2-(4-fluorophenyl)-3-oxo-4H-quinoline-6-carboxylate;methyl 3-(4-fluorophenyl)-2-oxo-1H-quinoxaline-6-carboxylate is CC(=O)c1ccc2nc(-c3ccc(F)cc3)c(Cl)nc2c1.COC(=O)C(=O)c1ccc(F)cc1.COC(=O)c1ccc(N)c(N)c1.COC(=O)c1ccc2[nH]c(=O)c(-c3ccc(F)cc3)nc2c1.COC(=O)c1ccc2c(c1)CC(=O)C(c1ccc(F)cc1)=N2.O=C(Cl)c1ccc2nc(-c3ccc(F)cc3)c(Cl)nc2c1.O=C1Cc2cc(C(=O)O)ccc2N=C1c1ccc(F)cc1.

What is the InChIKey of 3-chloro-2-(4-fluorophenyl)quinoxaline-6-carbonyl chloride;1-[3-chloro-2-(4-fluorophenyl)quinoxalin-6-yl]ethanone;2-(4-fluorophenyl)-3-oxo-4H-quinoline-6-carboxylic acid;methyl 3,4-diaminobenzoate;methyl 2-(4-fluorophenyl)-2-oxoacetate;methyl 2-(4-fluorophenyl)-3-oxo-4H-quinoline-6-carboxylate;methyl 3-(4-fluorophenyl)-2-oxo-1H-quinoxaline-6-carboxylate?

The InChIKey is ZCKXBUDHNWMVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FNO3.C16H10ClFN2O.C16H11FN2O3.C16H10FNO3.C15H7Cl2FN2O.C9H7FO3.C8H10N2O2/c1-22-17(21)11-4-7-14-12(8-11)9-15(20)16(19-14)10-2-5-13(18)6-3-10;1-9(21)11-4-7-13-14(8-11)20-16(17)15(19-13)10-2-5-12(18)6-3-10;1-22-16(21)10-4-7-12-13(8-10)18-14(15(20)19-12)9-2-5-11(17)6-3-9;17-12-4-1-9(2-5-12)15-14(19)8-11-7-10(16(20)21)3-6-13(11)18-15;16-14-13(8-1-4-10(18)5-2-8)19-11-6-3-9(15(17)21)7-12(11)20-14;1-13-9(12)8(11)6-2-4-7(10)5-3-6;1-12-8(11)5-2-3-6(9)7(10)4-5/h2-8H,9H2,1H3;2-8H,1H3;2-8H,1H3,(H,19,20);1-7H,8H2,(H,20,21);1-7H;2-5H,1H3;2-4H,9-10H2,1H3.

What are the key properties of 3-chloro-2-(4-fluorophenyl)quinoxaline-6-carbonyl chloride;1-[3-chloro-2-(4-fluorophenyl)quinoxalin-6-yl]ethanone;2-(4-fluorophenyl)-3-oxo-4H-quinoline-6-carboxylic acid;methyl 3,4-diaminobenzoate;methyl 2-(4-fluorophenyl)-2-oxoacetate;methyl 2-(4-fluorophenyl)-3-oxo-4H-quinoline-6-carboxylate;methyl 3-(4-fluorophenyl)-2-oxo-1H-quinoxaline-6-carboxylate?

3-chloro-2-(4-fluorophenyl)quinoxaline-6-carbonyl chloride;1-[3-chloro-2-(4-fluorophenyl)quinoxalin-6-yl]ethanone;2-(4-fluorophenyl)-3-oxo-4H-quinoline-6-carboxylic acid;methyl 3,4-diaminobenzoate;methyl 2-(4-fluorophenyl)-2-oxoacetate;methyl 2-(4-fluorophenyl)-3-oxo-4H-quinoline-6-carboxylate;methyl 3-(4-fluorophenyl)-2-oxo-1H-quinoxaline-6-carboxylate has a molecular weight of 1849.00 g/mol, XLogP of 18.72, 13 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-2-(4-fluorophenyl)quinoxaline-6-carbonyl chloride;1-[3-chloro-2-(4-fluorophenyl)quinoxalin-6-yl]ethanone;2-(4-fluorophenyl)-3-oxo-4H-quinoline-6-carboxylic acid;methyl 3,4-diaminobenzoate;methyl 2-(4-fluorophenyl)-2-oxoacetate;methyl 2-(4-fluorophenyl)-3-oxo-4H-quinoline-6-carboxylate;methyl 3-(4-fluorophenyl)-2-oxo-1H-quinoxaline-6-carboxylate is sourced from PubChem (CID 162081731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).