2-[[4-(3-bromoquinolin-6-yl)-5-(5-chloro-2-fluorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;6-[5-(5-chloro-2-fluorophenyl)-1H-imidazol-4-yl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]quinolin-3-amine;2-(4-propan-2-ylpiperazin-1-yl)ethanamine

C60H75BrCl2F2N12OSi — CID 159612018

About 2-[[4-(3-bromoquinolin-6-yl)-5-(5-chloro-2-fluorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;6-[5-(5-chloro-2-fluorophenyl)-1H-imidazol-4-yl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]quinolin-3-amine;2-(4-propan-2-ylpiperazin-1-yl)ethanamine

2-[[4-(3-bromoquinolin-6-yl)-5-(5-chloro-2-fluorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;6-[5-(5-chloro-2-fluorophenyl)-1H-imidazol-4-yl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]quinolin-3-amine;2-(4-propan-2-ylpiperazin-1-yl)ethanamine (PubChem CID 159612018) has the molecular formula C60H75BrCl2F2N12OSi and a molecular weight of 1197.23 g/mol. Its IUPAC name is 2-[[4-(3-bromoquinolin-6-yl)-5-(5-chloro-2-fluorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;6-[5-(5-chloro-2-fluorophenyl)-1H-imidazol-4-yl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]quinolin-3-amine;2-(4-propan-2-ylpiperazin-1-yl)ethanamine.

Molecular Properties

• Compound Name: 2-[[4-(3-bromoquinolin-6-yl)-5-(5-chloro-2-fluorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;6-[5-(5-chloro-2-fluorophenyl)-1H-imidazol-4-yl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]quinolin-3-amine;2-(4-propan-2-ylpiperazin-1-yl)ethanamine
• PubChem CID: 159612018
• Molecular Formula: C60H75BrCl2F2N12OSi
• Molecular Weight: 1197.23 g/mol
• Exact Mass: 1194.45
• IUPAC Name: 2-[[4-(3-bromoquinolin-6-yl)-5-(5-chloro-2-fluorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;6-[5-(5-chloro-2-fluorophenyl)-1H-imidazol-4-yl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]quinolin-3-amine;2-(4-propan-2-ylpiperazin-1-yl)ethanamine
• SMILES: CC(C)N1CCN(CCN)CC1.CC(C)N1CCN(CCNc2cnc3ccc(-c4nc[nH]c4-c4cc(Cl)ccc4F)cc3c2)CC1.C[Si](C)(C)CCOCn1cnc(-c2ccc3ncc(Br)cc3c2)c1-c1cc(Cl)ccc1F
• InChI: InChI=1S/C27H30ClFN6.C24H24BrClFN3OSi.C9H21N3/c1-18(2)35-11-9-34(10-12-35)8-7-30-22-14-20-13-19(3-6-25(20)31-16-22)26-27(33-17-32-26)23-15-21(28)4-5-24(23)29;1-32(2,3)9-8-31-15-30-14-29-23(24(30)20-12-19(26)5-6-21(20)27)16-4-7-22-17(10-16)11-18(25)13-28-22;1-9(2)12-7-5-11(4-3-10)6-8-12/h3-6,13-18,30H,7-12H2,1-2H3,(H,32,33);4-7,10-14H,8-9,15H2,1-3H3;9H,3-8,10H2,1-2H3
• InChIKey: MMUWPSBWVFDESV-UHFFFAOYSA-N
• XLogP: 13.13
• TPSA: 132.52 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 17
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1197.23
LogP ≤ 5	13.13
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

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-(5-chloro-2-fluorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;6-[5-(5-chloro-2-fluorophenyl)-1H-imidazol-4-yl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]quinolin-3-amine;2-(4-propan-2-ylpiperazin-1-yl)ethanamine?

The IUPAC name of 2-[[4-(3-bromoquinolin-6-yl)-5-(5-chloro-2-fluorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;6-[5-(5-chloro-2-fluorophenyl)-1H-imidazol-4-yl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]quinolin-3-amine;2-(4-propan-2-ylpiperazin-1-yl)ethanamine (CID 159612018) is 2-[[4-(3-bromoquinolin-6-yl)-5-(5-chloro-2-fluorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;6-[5-(5-chloro-2-fluorophenyl)-1H-imidazol-4-yl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]quinolin-3-amine;2-(4-propan-2-ylpiperazin-1-yl)ethanamine.

What is the SMILES notation for 2-[[4-(3-bromoquinolin-6-yl)-5-(5-chloro-2-fluorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;6-[5-(5-chloro-2-fluorophenyl)-1H-imidazol-4-yl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]quinolin-3-amine;2-(4-propan-2-ylpiperazin-1-yl)ethanamine?

The canonical SMILES for 2-[[4-(3-bromoquinolin-6-yl)-5-(5-chloro-2-fluorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;6-[5-(5-chloro-2-fluorophenyl)-1H-imidazol-4-yl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]quinolin-3-amine;2-(4-propan-2-ylpiperazin-1-yl)ethanamine is CC(C)N1CCN(CCN)CC1.CC(C)N1CCN(CCNc2cnc3ccc(-c4nc[nH]c4-c4cc(Cl)ccc4F)cc3c2)CC1.C[Si](C)(C)CCOCn1cnc(-c2ccc3ncc(Br)cc3c2)c1-c1cc(Cl)ccc1F.

What is the InChIKey of 2-[[4-(3-bromoquinolin-6-yl)-5-(5-chloro-2-fluorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;6-[5-(5-chloro-2-fluorophenyl)-1H-imidazol-4-yl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]quinolin-3-amine;2-(4-propan-2-ylpiperazin-1-yl)ethanamine?

The InChIKey is MMUWPSBWVFDESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30ClFN6.C24H24BrClFN3OSi.C9H21N3/c1-18(2)35-11-9-34(10-12-35)8-7-30-22-14-20-13-19(3-6-25(20)31-16-22)26-27(33-17-32-26)23-15-21(28)4-5-24(23)29;1-32(2,3)9-8-31-15-30-14-29-23(24(30)20-12-19(26)5-6-21(20)27)16-4-7-22-17(10-16)11-18(25)13-28-22;1-9(2)12-7-5-11(4-3-10)6-8-12/h3-6,13-18,30H,7-12H2,1-2H3,(H,32,33);4-7,10-14H,8-9,15H2,1-3H3;9H,3-8,10H2,1-2H3.

What are the key properties of 2-[[4-(3-bromoquinolin-6-yl)-5-(5-chloro-2-fluorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;6-[5-(5-chloro-2-fluorophenyl)-1H-imidazol-4-yl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]quinolin-3-amine;2-(4-propan-2-ylpiperazin-1-yl)ethanamine?

2-[[4-(3-bromoquinolin-6-yl)-5-(5-chloro-2-fluorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;6-[5-(5-chloro-2-fluorophenyl)-1H-imidazol-4-yl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]quinolin-3-amine;2-(4-propan-2-ylpiperazin-1-yl)ethanamine has a molecular weight of 1197.23 g/mol, XLogP of 13.13, 17 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-(3-bromoquinolin-6-yl)-5-(5-chloro-2-fluorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;6-[5-(5-chloro-2-fluorophenyl)-1H-imidazol-4-yl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]quinolin-3-amine;2-(4-propan-2-ylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 159612018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).