5-chloro-2-(3-fluorophenyl)-3-propan-2-ylquinoxaline;5-chloro-3-(3-fluorophenyl)-2-propan-2-ylquinoxaline;2,5-dichloro-3-propan-2-ylquinoxaline;3,5-dichloro-2-propan-2-ylquinoxaline;N-ethylmethanimine;(3-fluorophenyl)boronic acid

C65H61BCl6F3N9O2 — CID 157298899

About 5-chloro-2-(3-fluorophenyl)-3-propan-2-ylquinoxaline;5-chloro-3-(3-fluorophenyl)-2-propan-2-ylquinoxaline;2,5-dichloro-3-propan-2-ylquinoxaline;3,5-dichloro-2-propan-2-ylquinoxaline;N-ethylmethanimine;(3-fluorophenyl)boronic acid

5-chloro-2-(3-fluorophenyl)-3-propan-2-ylquinoxaline;5-chloro-3-(3-fluorophenyl)-2-propan-2-ylquinoxaline;2,5-dichloro-3-propan-2-ylquinoxaline;3,5-dichloro-2-propan-2-ylquinoxaline;N-ethylmethanimine;(3-fluorophenyl)boronic acid (PubChem CID 157298899) has the molecular formula C65H61BCl6F3N9O2 and a molecular weight of 1280.79 g/mol. Its IUPAC name is 5-chloro-2-(3-fluorophenyl)-3-propan-2-ylquinoxaline;5-chloro-3-(3-fluorophenyl)-2-propan-2-ylquinoxaline;2,5-dichloro-3-propan-2-ylquinoxaline;3,5-dichloro-2-propan-2-ylquinoxaline;N-ethylmethanimine;(3-fluorophenyl)boronic acid.

Molecular Properties

• Compound Name: 5-chloro-2-(3-fluorophenyl)-3-propan-2-ylquinoxaline;5-chloro-3-(3-fluorophenyl)-2-propan-2-ylquinoxaline;2,5-dichloro-3-propan-2-ylquinoxaline;3,5-dichloro-2-propan-2-ylquinoxaline;N-ethylmethanimine;(3-fluorophenyl)boronic acid
• PubChem CID: 157298899
• Molecular Formula: C65H61BCl6F3N9O2
• Molecular Weight: 1280.79 g/mol
• Exact Mass: 1277.31
• IUPAC Name: 5-chloro-2-(3-fluorophenyl)-3-propan-2-ylquinoxaline;5-chloro-3-(3-fluorophenyl)-2-propan-2-ylquinoxaline;2,5-dichloro-3-propan-2-ylquinoxaline;3,5-dichloro-2-propan-2-ylquinoxaline;N-ethylmethanimine;(3-fluorophenyl)boronic acid
• SMILES: C=NCC.CC(C)c1nc2c(Cl)cccc2nc1-c1cccc(F)c1.CC(C)c1nc2c(Cl)cccc2nc1Cl.CC(C)c1nc2cccc(Cl)c2nc1-c1cccc(F)c1.CC(C)c1nc2cccc(Cl)c2nc1Cl.OB(O)c1cccc(F)c1
• InChI: InChI=1S/2C17H14ClFN2.2C11H10Cl2N2.C6H6BFO2.C3H7N/c1-10(2)15-16(11-5-3-6-12(19)9-11)20-14-8-4-7-13(18)17(14)21-15;1-10(2)15-16(11-5-3-6-12(19)9-11)21-17-13(18)7-4-8-14(17)20-15;1-6(2)9-11(13)14-8-5-3-4-7(12)10(8)15-9;1-6(2)9-11(13)15-10-7(12)4-3-5-8(10)14-9;8-6-3-1-2-5(4-6)7(9)10;1-3-4-2/h2*3-10H,1-2H3;2*3-6H,1-2H3;1-4,9-10H;2-3H2,1H3
• InChIKey: BBQWGNDPZBVXAF-UHFFFAOYSA-N
• XLogP: 18.76
• TPSA: 155.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1280.79
LogP ≤ 5	18.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(3-fluorophenyl)-3-propan-2-ylquinoxaline;5-chloro-3-(3-fluorophenyl)-2-propan-2-ylquinoxaline;2,5-dichloro-3-propan-2-ylquinoxaline;3,5-dichloro-2-propan-2-ylquinoxaline;N-ethylmethanimine;(3-fluorophenyl)boronic acid?

The IUPAC name of 5-chloro-2-(3-fluorophenyl)-3-propan-2-ylquinoxaline;5-chloro-3-(3-fluorophenyl)-2-propan-2-ylquinoxaline;2,5-dichloro-3-propan-2-ylquinoxaline;3,5-dichloro-2-propan-2-ylquinoxaline;N-ethylmethanimine;(3-fluorophenyl)boronic acid (CID 157298899) is 5-chloro-2-(3-fluorophenyl)-3-propan-2-ylquinoxaline;5-chloro-3-(3-fluorophenyl)-2-propan-2-ylquinoxaline;2,5-dichloro-3-propan-2-ylquinoxaline;3,5-dichloro-2-propan-2-ylquinoxaline;N-ethylmethanimine;(3-fluorophenyl)boronic acid.

What is the SMILES notation for 5-chloro-2-(3-fluorophenyl)-3-propan-2-ylquinoxaline;5-chloro-3-(3-fluorophenyl)-2-propan-2-ylquinoxaline;2,5-dichloro-3-propan-2-ylquinoxaline;3,5-dichloro-2-propan-2-ylquinoxaline;N-ethylmethanimine;(3-fluorophenyl)boronic acid?

The canonical SMILES for 5-chloro-2-(3-fluorophenyl)-3-propan-2-ylquinoxaline;5-chloro-3-(3-fluorophenyl)-2-propan-2-ylquinoxaline;2,5-dichloro-3-propan-2-ylquinoxaline;3,5-dichloro-2-propan-2-ylquinoxaline;N-ethylmethanimine;(3-fluorophenyl)boronic acid is C=NCC.CC(C)c1nc2c(Cl)cccc2nc1-c1cccc(F)c1.CC(C)c1nc2c(Cl)cccc2nc1Cl.CC(C)c1nc2cccc(Cl)c2nc1-c1cccc(F)c1.CC(C)c1nc2cccc(Cl)c2nc1Cl.OB(O)c1cccc(F)c1.

What is the InChIKey of 5-chloro-2-(3-fluorophenyl)-3-propan-2-ylquinoxaline;5-chloro-3-(3-fluorophenyl)-2-propan-2-ylquinoxaline;2,5-dichloro-3-propan-2-ylquinoxaline;3,5-dichloro-2-propan-2-ylquinoxaline;N-ethylmethanimine;(3-fluorophenyl)boronic acid?

The InChIKey is BBQWGNDPZBVXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H14ClFN2.2C11H10Cl2N2.C6H6BFO2.C3H7N/c1-10(2)15-16(11-5-3-6-12(19)9-11)20-14-8-4-7-13(18)17(14)21-15;1-10(2)15-16(11-5-3-6-12(19)9-11)21-17-13(18)7-4-8-14(17)20-15;1-6(2)9-11(13)14-8-5-3-4-7(12)10(8)15-9;1-6(2)9-11(13)15-10-7(12)4-3-5-8(10)14-9;8-6-3-1-2-5(4-6)7(9)10;1-3-4-2/h2*3-10H,1-2H3;2*3-6H,1-2H3;1-4,9-10H;2-3H2,1H3.

What are the key properties of 5-chloro-2-(3-fluorophenyl)-3-propan-2-ylquinoxaline;5-chloro-3-(3-fluorophenyl)-2-propan-2-ylquinoxaline;2,5-dichloro-3-propan-2-ylquinoxaline;3,5-dichloro-2-propan-2-ylquinoxaline;N-ethylmethanimine;(3-fluorophenyl)boronic acid?

5-chloro-2-(3-fluorophenyl)-3-propan-2-ylquinoxaline;5-chloro-3-(3-fluorophenyl)-2-propan-2-ylquinoxaline;2,5-dichloro-3-propan-2-ylquinoxaline;3,5-dichloro-2-propan-2-ylquinoxaline;N-ethylmethanimine;(3-fluorophenyl)boronic acid has a molecular weight of 1280.79 g/mol, XLogP of 18.76, 8 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-2-(3-fluorophenyl)-3-propan-2-ylquinoxaline;5-chloro-3-(3-fluorophenyl)-2-propan-2-ylquinoxaline;2,5-dichloro-3-propan-2-ylquinoxaline;3,5-dichloro-2-propan-2-ylquinoxaline;N-ethylmethanimine;(3-fluorophenyl)boronic acid is sourced from PubChem (CID 157298899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).