2-chloro-3-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide;1-chloro-4-methanidylbenzene;2-[(4-chlorophenyl)methyl]-3-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide;chlorozinc(1+)

C56H46Cl4F2N10O2Zn — CID 158321527

About 2-chloro-3-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide;1-chloro-4-methanidylbenzene;2-[(4-chlorophenyl)methyl]-3-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide;chlorozinc(1+)

2-chloro-3-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide;1-chloro-4-methanidylbenzene;2-[(4-chlorophenyl)methyl]-3-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide;chlorozinc(1+) (PubChem CID 158321527) has the molecular formula C56H46Cl4F2N10O2Zn and a molecular weight of 1136.25 g/mol. Its IUPAC name is 2-chloro-3-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide;1-chloro-4-methanidylbenzene;2-[(4-chlorophenyl)methyl]-3-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide;chlorozinc(1+).

Molecular Properties

• Compound Name: 2-chloro-3-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide;1-chloro-4-methanidylbenzene;2-[(4-chlorophenyl)methyl]-3-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide;chlorozinc(1+)
• PubChem CID: 158321527
• Molecular Formula: C56H46Cl4F2N10O2Zn
• Molecular Weight: 1136.25 g/mol
• Exact Mass: 1132.18
• IUPAC Name: 2-chloro-3-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide;1-chloro-4-methanidylbenzene;2-[(4-chlorophenyl)methyl]-3-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide;chlorozinc(1+)
• SMILES: Cl[Zn+].O=C(NCCCc1ncc[nH]1)c1ccc2nc(Cc3ccc(Cl)cc3)c(-c3ccc(F)cc3)nc2c1.O=C(NCCCc1ncc[nH]1)c1ccc2nc(Cl)c(-c3ccc(F)cc3)nc2c1.[CH2-]c1ccc(Cl)cc1
• InChI: InChI=1S/C28H23ClFN5O.C21H17ClFN5O.C7H6Cl.ClH.Zn/c29-21-8-3-18(4-9-21)16-25-27(19-5-10-22(30)11-6-19)35-24-17-20(7-12-23(24)34-25)28(36)33-13-1-2-26-31-14-15-32-26;22-20-19(13-3-6-15(23)7-4-13)27-17-12-14(5-8-16(17)28-20)21(29)26-9-1-2-18-24-10-11-25-18;1-6-2-4-7(8)5-3-6;;/h3-12,14-15,17H,1-2,13,16H2,(H,31,32)(H,33,36);3-8,10-12H,1-2,9H2,(H,24,25)(H,26,29);2-5H,1H2;1H;/q;;-1;;+2/p-1
• InChIKey: GOXGLTKDDDSJEY-UHFFFAOYSA-M
• XLogP: 13.15
• TPSA: 167.12 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 14
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1136.25
LogP ≤ 5	13.15
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide;1-chloro-4-methanidylbenzene;2-[(4-chlorophenyl)methyl]-3-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide;chlorozinc(1+)?

The IUPAC name of 2-chloro-3-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide;1-chloro-4-methanidylbenzene;2-[(4-chlorophenyl)methyl]-3-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide;chlorozinc(1+) (CID 158321527) is 2-chloro-3-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide;1-chloro-4-methanidylbenzene;2-[(4-chlorophenyl)methyl]-3-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide;chlorozinc(1+).

What is the SMILES notation for 2-chloro-3-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide;1-chloro-4-methanidylbenzene;2-[(4-chlorophenyl)methyl]-3-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide;chlorozinc(1+)?

The canonical SMILES for 2-chloro-3-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide;1-chloro-4-methanidylbenzene;2-[(4-chlorophenyl)methyl]-3-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide;chlorozinc(1+) is Cl[Zn+].O=C(NCCCc1ncc[nH]1)c1ccc2nc(Cc3ccc(Cl)cc3)c(-c3ccc(F)cc3)nc2c1.O=C(NCCCc1ncc[nH]1)c1ccc2nc(Cl)c(-c3ccc(F)cc3)nc2c1.[CH2-]c1ccc(Cl)cc1.

What is the InChIKey of 2-chloro-3-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide;1-chloro-4-methanidylbenzene;2-[(4-chlorophenyl)methyl]-3-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide;chlorozinc(1+)?

The InChIKey is GOXGLTKDDDSJEY-UHFFFAOYSA-M. The full InChI is InChI=1S/C28H23ClFN5O.C21H17ClFN5O.C7H6Cl.ClH.Zn/c29-21-8-3-18(4-9-21)16-25-27(19-5-10-22(30)11-6-19)35-24-17-20(7-12-23(24)34-25)28(36)33-13-1-2-26-31-14-15-32-26;22-20-19(13-3-6-15(23)7-4-13)27-17-12-14(5-8-16(17)28-20)21(29)26-9-1-2-18-24-10-11-25-18;1-6-2-4-7(8)5-3-6;;/h3-12,14-15,17H,1-2,13,16H2,(H,31,32)(H,33,36);3-8,10-12H,1-2,9H2,(H,24,25)(H,26,29);2-5H,1H2;1H;/q;;-1;;+2/p-1.

What are the key properties of 2-chloro-3-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide;1-chloro-4-methanidylbenzene;2-[(4-chlorophenyl)methyl]-3-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide;chlorozinc(1+)?

2-chloro-3-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide;1-chloro-4-methanidylbenzene;2-[(4-chlorophenyl)methyl]-3-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide;chlorozinc(1+) has a molecular weight of 1136.25 g/mol, XLogP of 13.15, 14 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-3-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide;1-chloro-4-methanidylbenzene;2-[(4-chlorophenyl)methyl]-3-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide;chlorozinc(1+) is sourced from PubChem (CID 158321527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).