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

C75H60BCl5F5N15O5 — CID 157394495

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

(3-chloro-4-fluorophenyl)boronic acid;3-(3-chloro-4-fluorophenyl)-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide;3-chloro-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide;3-chloro-2-(4-fluorophenyl)quinoxaline-6-carbonyl chloride;3-(1H-imidazol-5-yl)propan-1-amine (PubChem CID 157394495) has the molecular formula C75H60BCl5F5N15O5 and a molecular weight of 1534.47 g/mol. Its IUPAC name is (3-chloro-4-fluorophenyl)boronic acid;3-(3-chloro-4-fluorophenyl)-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide;3-chloro-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide;3-chloro-2-(4-fluorophenyl)quinoxaline-6-carbonyl chloride;3-(1H-imidazol-5-yl)propan-1-amine.

Molecular Properties

• Compound Name: (3-chloro-4-fluorophenyl)boronic acid;3-(3-chloro-4-fluorophenyl)-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide;3-chloro-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide;3-chloro-2-(4-fluorophenyl)quinoxaline-6-carbonyl chloride;3-(1H-imidazol-5-yl)propan-1-amine
• PubChem CID: 157394495
• Molecular Formula: C75H60BCl5F5N15O5
• Molecular Weight: 1534.47 g/mol
• Exact Mass: 1531.34
• IUPAC Name: (3-chloro-4-fluorophenyl)boronic acid;3-(3-chloro-4-fluorophenyl)-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide;3-chloro-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide;3-chloro-2-(4-fluorophenyl)quinoxaline-6-carbonyl chloride;3-(1H-imidazol-5-yl)propan-1-amine
• SMILES: NCCCc1cnc[nH]1.O=C(Cl)c1ccc2nc(-c3ccc(F)cc3)c(Cl)nc2c1.O=C(NCCCc1ncc[nH]1)c1ccc2nc(-c3ccc(F)cc3)c(-c3ccc(F)c(Cl)c3)nc2c1.O=C(NCCCc1ncc[nH]1)c1ccc2nc(-c3ccc(F)cc3)c(Cl)nc2c1.OB(O)c1ccc(F)c(Cl)c1
• InChI: InChI=1S/C27H20ClF2N5O.C21H17ClFN5O.C15H7Cl2FN2O.C6H5BClFO2.C6H11N3/c28-20-14-17(5-9-21(20)30)26-25(16-3-7-19(29)8-4-16)34-22-10-6-18(15-23(22)35-26)27(36)33-11-1-2-24-31-12-13-32-24;22-20-19(13-3-6-15(23)7-4-13)27-16-8-5-14(12-17(16)28-20)21(29)26-9-1-2-18-24-10-11-25-18;16-14-13(8-1-4-10(18)5-2-8)19-11-6-3-9(15(17)21)7-12(11)20-14;8-5-3-4(7(10)11)1-2-6(5)9;7-3-1-2-6-4-8-5-9-6/h3-10,12-15H,1-2,11H2,(H,31,32)(H,33,36);3-8,10-12H,1-2,9H2,(H,24,25)(H,26,29);1-7H;1-3,10-11H;4-5H,1-3,7H2,(H,8,9)
• InChIKey: BMKFUQUFVDOBKG-UHFFFAOYSA-N
• XLogP: 15.08
• TPSA: 305.13 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 15
• Rotatable Bonds: 19
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1534.47
LogP ≤ 5	15.08
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of (3-chloro-4-fluorophenyl)boronic acid;3-(3-chloro-4-fluorophenyl)-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide;3-chloro-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide;3-chloro-2-(4-fluorophenyl)quinoxaline-6-carbonyl chloride;3-(1H-imidazol-5-yl)propan-1-amine (CID 157394495) is (3-chloro-4-fluorophenyl)boronic acid;3-(3-chloro-4-fluorophenyl)-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide;3-chloro-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide;3-chloro-2-(4-fluorophenyl)quinoxaline-6-carbonyl chloride;3-(1H-imidazol-5-yl)propan-1-amine.

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

The canonical SMILES for (3-chloro-4-fluorophenyl)boronic acid;3-(3-chloro-4-fluorophenyl)-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide;3-chloro-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide;3-chloro-2-(4-fluorophenyl)quinoxaline-6-carbonyl chloride;3-(1H-imidazol-5-yl)propan-1-amine is NCCCc1cnc[nH]1.O=C(Cl)c1ccc2nc(-c3ccc(F)cc3)c(Cl)nc2c1.O=C(NCCCc1ncc[nH]1)c1ccc2nc(-c3ccc(F)cc3)c(-c3ccc(F)c(Cl)c3)nc2c1.O=C(NCCCc1ncc[nH]1)c1ccc2nc(-c3ccc(F)cc3)c(Cl)nc2c1.OB(O)c1ccc(F)c(Cl)c1.

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

The InChIKey is BMKFUQUFVDOBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20ClF2N5O.C21H17ClFN5O.C15H7Cl2FN2O.C6H5BClFO2.C6H11N3/c28-20-14-17(5-9-21(20)30)26-25(16-3-7-19(29)8-4-16)34-22-10-6-18(15-23(22)35-26)27(36)33-11-1-2-24-31-12-13-32-24;22-20-19(13-3-6-15(23)7-4-13)27-16-8-5-14(12-17(16)28-20)21(29)26-9-1-2-18-24-10-11-25-18;16-14-13(8-1-4-10(18)5-2-8)19-11-6-3-9(15(17)21)7-12(11)20-14;8-5-3-4(7(10)11)1-2-6(5)9;7-3-1-2-6-4-8-5-9-6/h3-10,12-15H,1-2,11H2,(H,31,32)(H,33,36);3-8,10-12H,1-2,9H2,(H,24,25)(H,26,29);1-7H;1-3,10-11H;4-5H,1-3,7H2,(H,8,9).

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

(3-chloro-4-fluorophenyl)boronic acid;3-(3-chloro-4-fluorophenyl)-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide;3-chloro-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide;3-chloro-2-(4-fluorophenyl)quinoxaline-6-carbonyl chloride;3-(1H-imidazol-5-yl)propan-1-amine has a molecular weight of 1534.47 g/mol, XLogP of 15.08, 19 rotatable bonds, 8 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for (3-chloro-4-fluorophenyl)boronic acid;3-(3-chloro-4-fluorophenyl)-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide;3-chloro-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide;3-chloro-2-(4-fluorophenyl)quinoxaline-6-carbonyl chloride;3-(1H-imidazol-5-yl)propan-1-amine is sourced from PubChem (CID 157394495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).