2-[[4-(3-bromoquinolin-6-yl)-5-(3-chlorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;6-[4-(3-chlorophenyl)-1H-imidazol-5-yl]-3-[3-(4-propan-2-ylpiperazin-1-yl)propyl]quinoline;2-(4-propan-2-ylpiperazin-1-yl)ethanamine

C61H78BrCl2N11OSi — CID 157498545

About 2-[[4-(3-bromoquinolin-6-yl)-5-(3-chlorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;6-[4-(3-chlorophenyl)-1H-imidazol-5-yl]-3-[3-(4-propan-2-ylpiperazin-1-yl)propyl]quinoline;2-(4-propan-2-ylpiperazin-1-yl)ethanamine

2-[[4-(3-bromoquinolin-6-yl)-5-(3-chlorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;6-[4-(3-chlorophenyl)-1H-imidazol-5-yl]-3-[3-(4-propan-2-ylpiperazin-1-yl)propyl]quinoline;2-(4-propan-2-ylpiperazin-1-yl)ethanamine (PubChem CID 157498545) has the molecular formula C61H78BrCl2N11OSi and a molecular weight of 1160.27 g/mol. Its IUPAC name is 2-[[4-(3-bromoquinolin-6-yl)-5-(3-chlorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;6-[4-(3-chlorophenyl)-1H-imidazol-5-yl]-3-[3-(4-propan-2-ylpiperazin-1-yl)propyl]quinoline;2-(4-propan-2-ylpiperazin-1-yl)ethanamine.

Molecular Properties

• Compound Name: 2-[[4-(3-bromoquinolin-6-yl)-5-(3-chlorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;6-[4-(3-chlorophenyl)-1H-imidazol-5-yl]-3-[3-(4-propan-2-ylpiperazin-1-yl)propyl]quinoline;2-(4-propan-2-ylpiperazin-1-yl)ethanamine
• PubChem CID: 157498545
• Molecular Formula: C61H78BrCl2N11OSi
• Molecular Weight: 1160.27 g/mol
• Exact Mass: 1157.47
• IUPAC Name: 2-[[4-(3-bromoquinolin-6-yl)-5-(3-chlorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;6-[4-(3-chlorophenyl)-1H-imidazol-5-yl]-3-[3-(4-propan-2-ylpiperazin-1-yl)propyl]quinoline;2-(4-propan-2-ylpiperazin-1-yl)ethanamine
• SMILES: CC(C)N1CCN(CCCc2cnc3ccc(-c4[nH]cnc4-c4cccc(Cl)c4)cc3c2)CC1.CC(C)N1CCN(CCN)CC1.C[Si](C)(C)CCOCn1cnc(-c2ccc3ncc(Br)cc3c2)c1-c1cccc(Cl)c1
• InChI: InChI=1S/C28H32ClN5.C24H25BrClN3OSi.C9H21N3/c1-20(2)34-13-11-33(12-14-34)10-4-5-21-15-24-16-23(8-9-26(24)30-18-21)28-27(31-19-32-28)22-6-3-7-25(29)17-22;1-31(2,3)10-9-30-16-29-15-28-23(24(29)18-5-4-6-21(26)13-18)17-7-8-22-19(11-17)12-20(25)14-27-22;1-9(2)12-7-5-11(4-3-10)6-8-12/h3,6-9,15-20H,4-5,10-14H2,1-2H3,(H,31,32);4-8,11-15H,9-10,16H2,1-3H3;9H,3-8,10H2,1-2H3
• InChIKey: BYCXTIICPNKPMP-UHFFFAOYSA-N
• XLogP: 13.37
• TPSA: 120.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 17
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1160.27
LogP ≤ 5	13.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

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 2-[[4-(3-bromoquinolin-6-yl)-5-(3-chlorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;6-[4-(3-chlorophenyl)-1H-imidazol-5-yl]-3-[3-(4-propan-2-ylpiperazin-1-yl)propyl]quinoline;2-(4-propan-2-ylpiperazin-1-yl)ethanamine?

The IUPAC name of 2-[[4-(3-bromoquinolin-6-yl)-5-(3-chlorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;6-[4-(3-chlorophenyl)-1H-imidazol-5-yl]-3-[3-(4-propan-2-ylpiperazin-1-yl)propyl]quinoline;2-(4-propan-2-ylpiperazin-1-yl)ethanamine (CID 157498545) is 2-[[4-(3-bromoquinolin-6-yl)-5-(3-chlorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;6-[4-(3-chlorophenyl)-1H-imidazol-5-yl]-3-[3-(4-propan-2-ylpiperazin-1-yl)propyl]quinoline;2-(4-propan-2-ylpiperazin-1-yl)ethanamine.

What is the SMILES notation for 2-[[4-(3-bromoquinolin-6-yl)-5-(3-chlorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;6-[4-(3-chlorophenyl)-1H-imidazol-5-yl]-3-[3-(4-propan-2-ylpiperazin-1-yl)propyl]quinoline;2-(4-propan-2-ylpiperazin-1-yl)ethanamine?

The canonical SMILES for 2-[[4-(3-bromoquinolin-6-yl)-5-(3-chlorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;6-[4-(3-chlorophenyl)-1H-imidazol-5-yl]-3-[3-(4-propan-2-ylpiperazin-1-yl)propyl]quinoline;2-(4-propan-2-ylpiperazin-1-yl)ethanamine is CC(C)N1CCN(CCCc2cnc3ccc(-c4[nH]cnc4-c4cccc(Cl)c4)cc3c2)CC1.CC(C)N1CCN(CCN)CC1.C[Si](C)(C)CCOCn1cnc(-c2ccc3ncc(Br)cc3c2)c1-c1cccc(Cl)c1.

What is the InChIKey of 2-[[4-(3-bromoquinolin-6-yl)-5-(3-chlorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;6-[4-(3-chlorophenyl)-1H-imidazol-5-yl]-3-[3-(4-propan-2-ylpiperazin-1-yl)propyl]quinoline;2-(4-propan-2-ylpiperazin-1-yl)ethanamine?

The InChIKey is BYCXTIICPNKPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32ClN5.C24H25BrClN3OSi.C9H21N3/c1-20(2)34-13-11-33(12-14-34)10-4-5-21-15-24-16-23(8-9-26(24)30-18-21)28-27(31-19-32-28)22-6-3-7-25(29)17-22;1-31(2,3)10-9-30-16-29-15-28-23(24(29)18-5-4-6-21(26)13-18)17-7-8-22-19(11-17)12-20(25)14-27-22;1-9(2)12-7-5-11(4-3-10)6-8-12/h3,6-9,15-20H,4-5,10-14H2,1-2H3,(H,31,32);4-8,11-15H,9-10,16H2,1-3H3;9H,3-8,10H2,1-2H3.

What are the key properties of 2-[[4-(3-bromoquinolin-6-yl)-5-(3-chlorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;6-[4-(3-chlorophenyl)-1H-imidazol-5-yl]-3-[3-(4-propan-2-ylpiperazin-1-yl)propyl]quinoline;2-(4-propan-2-ylpiperazin-1-yl)ethanamine?

2-[[4-(3-bromoquinolin-6-yl)-5-(3-chlorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;6-[4-(3-chlorophenyl)-1H-imidazol-5-yl]-3-[3-(4-propan-2-ylpiperazin-1-yl)propyl]quinoline;2-(4-propan-2-ylpiperazin-1-yl)ethanamine has a molecular weight of 1160.27 g/mol, XLogP of 13.37, 17 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-(3-bromoquinolin-6-yl)-5-(3-chlorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;6-[4-(3-chlorophenyl)-1H-imidazol-5-yl]-3-[3-(4-propan-2-ylpiperazin-1-yl)propyl]quinoline;2-(4-propan-2-ylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 157498545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).