(5-chloro-2-fluorophenyl)boronic acid;3-(5-chloro-2-fluorophenyl)-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide;3-(5-chloro-2-fluorophenyl)-2-(4-fluorophenyl)quinoxaline-6-carboxylic acid;1-[3-(5-chloro-2-fluorophenyl)-2-(4-fluorophenyl)quinoxalin-6-yl]ethanone;1-[3-chloro-2-(4-fluorophenyl)quinoxalin-6-yl]ethanone;3-(1H-imidazol-2-yl)propan-1-amine

C98H70BCl5F8N14O7 — CID 159200408

About (5-chloro-2-fluorophenyl)boronic acid;3-(5-chloro-2-fluorophenyl)-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide;3-(5-chloro-2-fluorophenyl)-2-(4-fluorophenyl)quinoxaline-6-carboxylic acid;1-[3-(5-chloro-2-fluorophenyl)-2-(4-fluorophenyl)quinoxalin-6-yl]ethanone;1-[3-chloro-2-(4-fluorophenyl)quinoxalin-6-yl]ethanone;3-(1H-imidazol-2-yl)propan-1-amine

(5-chloro-2-fluorophenyl)boronic acid;3-(5-chloro-2-fluorophenyl)-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide;3-(5-chloro-2-fluorophenyl)-2-(4-fluorophenyl)quinoxaline-6-carboxylic acid;1-[3-(5-chloro-2-fluorophenyl)-2-(4-fluorophenyl)quinoxalin-6-yl]ethanone;1-[3-chloro-2-(4-fluorophenyl)quinoxalin-6-yl]ethanone;3-(1H-imidazol-2-yl)propan-1-amine (PubChem CID 159200408) has the molecular formula C98H70BCl5F8N14O7 and a molecular weight of 1895.79 g/mol. Its IUPAC name is (5-chloro-2-fluorophenyl)boronic acid;3-(5-chloro-2-fluorophenyl)-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide;3-(5-chloro-2-fluorophenyl)-2-(4-fluorophenyl)quinoxaline-6-carboxylic acid;1-[3-(5-chloro-2-fluorophenyl)-2-(4-fluorophenyl)quinoxalin-6-yl]ethanone;1-[3-chloro-2-(4-fluorophenyl)quinoxalin-6-yl]ethanone;3-(1H-imidazol-2-yl)propan-1-amine.

Molecular Properties

• Compound Name: (5-chloro-2-fluorophenyl)boronic acid;3-(5-chloro-2-fluorophenyl)-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide;3-(5-chloro-2-fluorophenyl)-2-(4-fluorophenyl)quinoxaline-6-carboxylic acid;1-[3-(5-chloro-2-fluorophenyl)-2-(4-fluorophenyl)quinoxalin-6-yl]ethanone;1-[3-chloro-2-(4-fluorophenyl)quinoxalin-6-yl]ethanone;3-(1H-imidazol-2-yl)propan-1-amine
• PubChem CID: 159200408
• Molecular Formula: C98H70BCl5F8N14O7
• Molecular Weight: 1895.79 g/mol
• Exact Mass: 1892.40
• IUPAC Name: (5-chloro-2-fluorophenyl)boronic acid;3-(5-chloro-2-fluorophenyl)-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide;3-(5-chloro-2-fluorophenyl)-2-(4-fluorophenyl)quinoxaline-6-carboxylic acid;1-[3-(5-chloro-2-fluorophenyl)-2-(4-fluorophenyl)quinoxalin-6-yl]ethanone;1-[3-chloro-2-(4-fluorophenyl)quinoxalin-6-yl]ethanone;3-(1H-imidazol-2-yl)propan-1-amine
• SMILES: CC(=O)c1ccc2nc(-c3ccc(F)cc3)c(-c3cc(Cl)ccc3F)nc2c1.CC(=O)c1ccc2nc(-c3ccc(F)cc3)c(Cl)nc2c1.NCCCc1ncc[nH]1.O=C(NCCCc1ncc[nH]1)c1ccc2nc(-c3ccc(F)cc3)c(-c3cc(Cl)ccc3F)nc2c1.O=C(O)c1ccc2nc(-c3ccc(F)cc3)c(-c3cc(Cl)ccc3F)nc2c1.OB(O)c1cc(Cl)ccc1F
• InChI: InChI=1S/C27H20ClF2N5O.C22H13ClF2N2O.C21H11ClF2N2O2.C16H10ClFN2O.C6H5BClFO2.C6H11N3/c28-18-6-9-21(30)20(15-18)26-25(16-3-7-19(29)8-4-16)34-22-10-5-17(14-23(22)35-26)27(36)33-11-1-2-24-31-12-13-32-24;1-12(28)14-4-9-19-20(10-14)27-22(17-11-15(23)5-8-18(17)25)21(26-19)13-2-6-16(24)7-3-13;22-13-4-7-16(24)15(10-13)20-19(11-1-5-14(23)6-2-11)25-17-8-3-12(21(27)28)9-18(17)26-20;1-9(21)11-4-7-13-14(8-11)20-16(17)15(19-13)10-2-5-12(18)6-3-10;8-4-1-2-6(9)5(3-4)7(10)11;7-3-1-2-6-8-4-5-9-6/h3-10,12-15H,1-2,11H2,(H,31,32)(H,33,36);2-11H,1H3;1-10H,(H,27,28);2-8H,1H3;1-3,10-11H;4-5H,1-3,7H2,(H,8,9)
• InChIKey: KPFCAAVUNAIJFK-UHFFFAOYSA-N
• XLogP: 22.42
• TPSA: 327.50 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 17
• Rotatable Bonds: 19
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1895.79
LogP ≤ 5	22.42
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-fluorophenyl)boronic acid;3-(5-chloro-2-fluorophenyl)-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide;3-(5-chloro-2-fluorophenyl)-2-(4-fluorophenyl)quinoxaline-6-carboxylic acid;1-[3-(5-chloro-2-fluorophenyl)-2-(4-fluorophenyl)quinoxalin-6-yl]ethanone;1-[3-chloro-2-(4-fluorophenyl)quinoxalin-6-yl]ethanone;3-(1H-imidazol-2-yl)propan-1-amine?

The IUPAC name of (5-chloro-2-fluorophenyl)boronic acid;3-(5-chloro-2-fluorophenyl)-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide;3-(5-chloro-2-fluorophenyl)-2-(4-fluorophenyl)quinoxaline-6-carboxylic acid;1-[3-(5-chloro-2-fluorophenyl)-2-(4-fluorophenyl)quinoxalin-6-yl]ethanone;1-[3-chloro-2-(4-fluorophenyl)quinoxalin-6-yl]ethanone;3-(1H-imidazol-2-yl)propan-1-amine (CID 159200408) is (5-chloro-2-fluorophenyl)boronic acid;3-(5-chloro-2-fluorophenyl)-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide;3-(5-chloro-2-fluorophenyl)-2-(4-fluorophenyl)quinoxaline-6-carboxylic acid;1-[3-(5-chloro-2-fluorophenyl)-2-(4-fluorophenyl)quinoxalin-6-yl]ethanone;1-[3-chloro-2-(4-fluorophenyl)quinoxalin-6-yl]ethanone;3-(1H-imidazol-2-yl)propan-1-amine.

What is the SMILES notation for (5-chloro-2-fluorophenyl)boronic acid;3-(5-chloro-2-fluorophenyl)-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide;3-(5-chloro-2-fluorophenyl)-2-(4-fluorophenyl)quinoxaline-6-carboxylic acid;1-[3-(5-chloro-2-fluorophenyl)-2-(4-fluorophenyl)quinoxalin-6-yl]ethanone;1-[3-chloro-2-(4-fluorophenyl)quinoxalin-6-yl]ethanone;3-(1H-imidazol-2-yl)propan-1-amine?

The canonical SMILES for (5-chloro-2-fluorophenyl)boronic acid;3-(5-chloro-2-fluorophenyl)-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide;3-(5-chloro-2-fluorophenyl)-2-(4-fluorophenyl)quinoxaline-6-carboxylic acid;1-[3-(5-chloro-2-fluorophenyl)-2-(4-fluorophenyl)quinoxalin-6-yl]ethanone;1-[3-chloro-2-(4-fluorophenyl)quinoxalin-6-yl]ethanone;3-(1H-imidazol-2-yl)propan-1-amine is CC(=O)c1ccc2nc(-c3ccc(F)cc3)c(-c3cc(Cl)ccc3F)nc2c1.CC(=O)c1ccc2nc(-c3ccc(F)cc3)c(Cl)nc2c1.NCCCc1ncc[nH]1.O=C(NCCCc1ncc[nH]1)c1ccc2nc(-c3ccc(F)cc3)c(-c3cc(Cl)ccc3F)nc2c1.O=C(O)c1ccc2nc(-c3ccc(F)cc3)c(-c3cc(Cl)ccc3F)nc2c1.OB(O)c1cc(Cl)ccc1F.

What is the InChIKey of (5-chloro-2-fluorophenyl)boronic acid;3-(5-chloro-2-fluorophenyl)-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide;3-(5-chloro-2-fluorophenyl)-2-(4-fluorophenyl)quinoxaline-6-carboxylic acid;1-[3-(5-chloro-2-fluorophenyl)-2-(4-fluorophenyl)quinoxalin-6-yl]ethanone;1-[3-chloro-2-(4-fluorophenyl)quinoxalin-6-yl]ethanone;3-(1H-imidazol-2-yl)propan-1-amine?

The InChIKey is KPFCAAVUNAIJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20ClF2N5O.C22H13ClF2N2O.C21H11ClF2N2O2.C16H10ClFN2O.C6H5BClFO2.C6H11N3/c28-18-6-9-21(30)20(15-18)26-25(16-3-7-19(29)8-4-16)34-22-10-5-17(14-23(22)35-26)27(36)33-11-1-2-24-31-12-13-32-24;1-12(28)14-4-9-19-20(10-14)27-22(17-11-15(23)5-8-18(17)25)21(26-19)13-2-6-16(24)7-3-13;22-13-4-7-16(24)15(10-13)20-19(11-1-5-14(23)6-2-11)25-17-8-3-12(21(27)28)9-18(17)26-20;1-9(21)11-4-7-13-14(8-11)20-16(17)15(19-13)10-2-5-12(18)6-3-10;8-4-1-2-6(9)5(3-4)7(10)11;7-3-1-2-6-8-4-5-9-6/h3-10,12-15H,1-2,11H2,(H,31,32)(H,33,36);2-11H,1H3;1-10H,(H,27,28);2-8H,1H3;1-3,10-11H;4-5H,1-3,7H2,(H,8,9).

What are the key properties of (5-chloro-2-fluorophenyl)boronic acid;3-(5-chloro-2-fluorophenyl)-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide;3-(5-chloro-2-fluorophenyl)-2-(4-fluorophenyl)quinoxaline-6-carboxylic acid;1-[3-(5-chloro-2-fluorophenyl)-2-(4-fluorophenyl)quinoxalin-6-yl]ethanone;1-[3-chloro-2-(4-fluorophenyl)quinoxalin-6-yl]ethanone;3-(1H-imidazol-2-yl)propan-1-amine?

(5-chloro-2-fluorophenyl)boronic acid;3-(5-chloro-2-fluorophenyl)-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide;3-(5-chloro-2-fluorophenyl)-2-(4-fluorophenyl)quinoxaline-6-carboxylic acid;1-[3-(5-chloro-2-fluorophenyl)-2-(4-fluorophenyl)quinoxalin-6-yl]ethanone;1-[3-chloro-2-(4-fluorophenyl)quinoxalin-6-yl]ethanone;3-(1H-imidazol-2-yl)propan-1-amine has a molecular weight of 1895.79 g/mol, XLogP of 22.42, 19 rotatable bonds, 7 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for (5-chloro-2-fluorophenyl)boronic acid;3-(5-chloro-2-fluorophenyl)-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide;3-(5-chloro-2-fluorophenyl)-2-(4-fluorophenyl)quinoxaline-6-carboxylic acid;1-[3-(5-chloro-2-fluorophenyl)-2-(4-fluorophenyl)quinoxalin-6-yl]ethanone;1-[3-chloro-2-(4-fluorophenyl)quinoxalin-6-yl]ethanone;3-(1H-imidazol-2-yl)propan-1-amine is sourced from PubChem (CID 159200408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).