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

C61H74BrCl2F4N11OSi — CID 158801790

About 2-[[4-(3-bromoquinolin-6-yl)-5-(5-chloro-2,4-difluorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;6-[5-(5-chloro-2,4-difluorophenyl)-1H-imidazol-4-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-(5-chloro-2,4-difluorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;6-[5-(5-chloro-2,4-difluorophenyl)-1H-imidazol-4-yl]-3-[3-(4-propan-2-ylpiperazin-1-yl)propyl]quinoline;2-(4-propan-2-ylpiperazin-1-yl)ethanamine (PubChem CID 158801790) has the molecular formula C61H74BrCl2F4N11OSi and a molecular weight of 1232.23 g/mol. Its IUPAC name is 2-[[4-(3-bromoquinolin-6-yl)-5-(5-chloro-2,4-difluorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;6-[5-(5-chloro-2,4-difluorophenyl)-1H-imidazol-4-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-(5-chloro-2,4-difluorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;6-[5-(5-chloro-2,4-difluorophenyl)-1H-imidazol-4-yl]-3-[3-(4-propan-2-ylpiperazin-1-yl)propyl]quinoline;2-(4-propan-2-ylpiperazin-1-yl)ethanamine
• PubChem CID: 158801790
• Molecular Formula: C61H74BrCl2F4N11OSi
• Molecular Weight: 1232.23 g/mol
• Exact Mass: 1229.43
• IUPAC Name: 2-[[4-(3-bromoquinolin-6-yl)-5-(5-chloro-2,4-difluorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;6-[5-(5-chloro-2,4-difluorophenyl)-1H-imidazol-4-yl]-3-[3-(4-propan-2-ylpiperazin-1-yl)propyl]quinoline;2-(4-propan-2-ylpiperazin-1-yl)ethanamine
• SMILES: CC(C)N1CCN(CCCc2cnc3ccc(-c4nc[nH]c4-c4cc(Cl)c(F)cc4F)cc3c2)CC1.CC(C)N1CCN(CCN)CC1.C[Si](C)(C)CCOCn1cnc(-c2ccc3ncc(Br)cc3c2)c1-c1cc(Cl)c(F)cc1F
• InChI: InChI=1S/C28H30ClF2N5.C24H23BrClF2N3OSi.C9H21N3/c1-18(2)36-10-8-35(9-11-36)7-3-4-19-12-21-13-20(5-6-26(21)32-16-19)27-28(34-17-33-27)22-14-23(29)25(31)15-24(22)30;1-33(2,3)7-6-32-14-31-13-30-23(24(31)18-10-19(26)21(28)11-20(18)27)15-4-5-22-16(8-15)9-17(25)12-29-22;1-9(2)12-7-5-11(4-3-10)6-8-12/h5-6,12-18H,3-4,7-11H2,1-2H3,(H,33,34);4-5,8-13H,6-7,14H2,1-3H3;9H,3-8,10H2,1-2H3
• InChIKey: ITOQOWBRXKCVQM-UHFFFAOYSA-N
• XLogP: 13.92
• TPSA: 120.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 17
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1232.23
LogP ≤ 5	13.92
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': 'halogenated_ring_1', '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-2,4-difluorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;6-[5-(5-chloro-2,4-difluorophenyl)-1H-imidazol-4-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-(5-chloro-2,4-difluorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;6-[5-(5-chloro-2,4-difluorophenyl)-1H-imidazol-4-yl]-3-[3-(4-propan-2-ylpiperazin-1-yl)propyl]quinoline;2-(4-propan-2-ylpiperazin-1-yl)ethanamine (CID 158801790) is 2-[[4-(3-bromoquinolin-6-yl)-5-(5-chloro-2,4-difluorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;6-[5-(5-chloro-2,4-difluorophenyl)-1H-imidazol-4-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-(5-chloro-2,4-difluorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;6-[5-(5-chloro-2,4-difluorophenyl)-1H-imidazol-4-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-(5-chloro-2,4-difluorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;6-[5-(5-chloro-2,4-difluorophenyl)-1H-imidazol-4-yl]-3-[3-(4-propan-2-ylpiperazin-1-yl)propyl]quinoline;2-(4-propan-2-ylpiperazin-1-yl)ethanamine is CC(C)N1CCN(CCCc2cnc3ccc(-c4nc[nH]c4-c4cc(Cl)c(F)cc4F)cc3c2)CC1.CC(C)N1CCN(CCN)CC1.C[Si](C)(C)CCOCn1cnc(-c2ccc3ncc(Br)cc3c2)c1-c1cc(Cl)c(F)cc1F.

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

The InChIKey is ITOQOWBRXKCVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30ClF2N5.C24H23BrClF2N3OSi.C9H21N3/c1-18(2)36-10-8-35(9-11-36)7-3-4-19-12-21-13-20(5-6-26(21)32-16-19)27-28(34-17-33-27)22-14-23(29)25(31)15-24(22)30;1-33(2,3)7-6-32-14-31-13-30-23(24(31)18-10-19(26)21(28)11-20(18)27)15-4-5-22-16(8-15)9-17(25)12-29-22;1-9(2)12-7-5-11(4-3-10)6-8-12/h5-6,12-18H,3-4,7-11H2,1-2H3,(H,33,34);4-5,8-13H,6-7,14H2,1-3H3;9H,3-8,10H2,1-2H3.

What are the key properties of 2-[[4-(3-bromoquinolin-6-yl)-5-(5-chloro-2,4-difluorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;6-[5-(5-chloro-2,4-difluorophenyl)-1H-imidazol-4-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-(5-chloro-2,4-difluorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;6-[5-(5-chloro-2,4-difluorophenyl)-1H-imidazol-4-yl]-3-[3-(4-propan-2-ylpiperazin-1-yl)propyl]quinoline;2-(4-propan-2-ylpiperazin-1-yl)ethanamine has a molecular weight of 1232.23 g/mol, XLogP of 13.92, 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-(5-chloro-2,4-difluorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;6-[5-(5-chloro-2,4-difluorophenyl)-1H-imidazol-4-yl]-3-[3-(4-propan-2-ylpiperazin-1-yl)propyl]quinoline;2-(4-propan-2-ylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 158801790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).