acetic acid;azane;3-(2-but-3-enyl-1H-imidazol-5-yl)-2-methoxyquinoline;2-[[2-but-3-enyl-4-(2-methoxyquinolin-3-yl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;2-hydroxy-1-(2-methoxyquinolin-3-yl)ethanone;methane;7-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-1-(1,3-oxazol-2-yl)heptan-1-one;[2-(2-methoxyquinolin-3-yl)-2-oxoethyl] pent-4-enoate;7-[4-(2-methoxyquinolin-3-yl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-1-(1,3-oxazol-2-yl)heptan-1-one;7-[4-(2-methoxyquinolin-3-yl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-1-(1,3-oxazol-2-yl)hept-4-en-1-one;1-(1,3-oxazol-2-yl)pent-4-en-1-one;pent-4-enoic acid;2,2,2-trifluoroacetaldehyde

C175H231F3N22O28Si3 — CID 158741207

About acetic acid;azane;3-(2-but-3-enyl-1H-imidazol-5-yl)-2-methoxyquinoline;2-[[2-but-3-enyl-4-(2-methoxyquinolin-3-yl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;2-hydroxy-1-(2-methoxyquinolin-3-yl)ethanone;methane;7-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-1-(1,3-oxazol-2-yl)heptan-1-one;[2-(2-methoxyquinolin-3-yl)-2-oxoethyl] pent-4-enoate;7-[4-(2-methoxyquinolin-3-yl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-1-(1,3-oxazol-2-yl)heptan-1-one;7-[4-(2-methoxyquinolin-3-yl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-1-(1,3-oxazol-2-yl)hept-4-en-1-one;1-(1,3-oxazol-2-yl)pent-4-en-1-one;pent-4-enoic acid;2,2,2-trifluoroacetaldehyde

acetic acid;azane;3-(2-but-3-enyl-1H-imidazol-5-yl)-2-methoxyquinoline;2-[[2-but-3-enyl-4-(2-methoxyquinolin-3-yl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;2-hydroxy-1-(2-methoxyquinolin-3-yl)ethanone;methane;7-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-1-(1,3-oxazol-2-yl)heptan-1-one;[2-(2-methoxyquinolin-3-yl)-2-oxoethyl] pent-4-enoate;7-[4-(2-methoxyquinolin-3-yl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-1-(1,3-oxazol-2-yl)heptan-1-one;7-[4-(2-methoxyquinolin-3-yl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-1-(1,3-oxazol-2-yl)hept-4-en-1-one;1-(1,3-oxazol-2-yl)pent-4-en-1-one;pent-4-enoic acid;2,2,2-trifluoroacetaldehyde (PubChem CID 158741207) has the molecular formula C175H231F3N22O28Si3 and a molecular weight of 3232.15 g/mol. Its IUPAC name is acetic acid;azane;3-(2-but-3-enyl-1H-imidazol-5-yl)-2-methoxyquinoline;2-[[2-but-3-enyl-4-(2-methoxyquinolin-3-yl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;2-hydroxy-1-(2-methoxyquinolin-3-yl)ethanone;methane;7-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-1-(1,3-oxazol-2-yl)heptan-1-one;[2-(2-methoxyquinolin-3-yl)-2-oxoethyl] pent-4-enoate;7-[4-(2-methoxyquinolin-3-yl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-1-(1,3-oxazol-2-yl)heptan-1-one;7-[4-(2-methoxyquinolin-3-yl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-1-(1,3-oxazol-2-yl)hept-4-en-1-one;1-(1,3-oxazol-2-yl)pent-4-en-1-one;pent-4-enoic acid;2,2,2-trifluoroacetaldehyde.

Molecular Properties

• Compound Name: acetic acid;azane;3-(2-but-3-enyl-1H-imidazol-5-yl)-2-methoxyquinoline;2-[[2-but-3-enyl-4-(2-methoxyquinolin-3-yl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;2-hydroxy-1-(2-methoxyquinolin-3-yl)ethanone;methane;7-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-1-(1,3-oxazol-2-yl)heptan-1-one;[2-(2-methoxyquinolin-3-yl)-2-oxoethyl] pent-4-enoate;7-[4-(2-methoxyquinolin-3-yl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-1-(1,3-oxazol-2-yl)heptan-1-one;7-[4-(2-methoxyquinolin-3-yl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-1-(1,3-oxazol-2-yl)hept-4-en-1-one;1-(1,3-oxazol-2-yl)pent-4-en-1-one;pent-4-enoic acid;2,2,2-trifluoroacetaldehyde
• PubChem CID: 158741207
• Molecular Formula: C175H231F3N22O28Si3
• Molecular Weight: 3232.15 g/mol
• Exact Mass: 3229.66
• IUPAC Name: acetic acid;azane;3-(2-but-3-enyl-1H-imidazol-5-yl)-2-methoxyquinoline;2-[[2-but-3-enyl-4-(2-methoxyquinolin-3-yl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;2-hydroxy-1-(2-methoxyquinolin-3-yl)ethanone;methane;7-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-1-(1,3-oxazol-2-yl)heptan-1-one;[2-(2-methoxyquinolin-3-yl)-2-oxoethyl] pent-4-enoate;7-[4-(2-methoxyquinolin-3-yl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-1-(1,3-oxazol-2-yl)heptan-1-one;7-[4-(2-methoxyquinolin-3-yl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-1-(1,3-oxazol-2-yl)hept-4-en-1-one;1-(1,3-oxazol-2-yl)pent-4-en-1-one;pent-4-enoic acid;2,2,2-trifluoroacetaldehyde
• SMILES: C.C.C.C.C.C.C.C.C=CCCC(=O)O.C=CCCC(=O)OCC(=O)c1cc2ccccc2nc1OC.C=CCCC(=O)c1ncco1.C=CCCc1nc(-c2cc3ccccc3nc2OC)cn1COCC[Si](C)(C)C.C=CCCc1ncc(-c2cc3ccccc3nc2OC)[nH]1.CC(=O)O.COc1nc2ccccc2cc1-c1cn(COCC[Si](C)(C)C)c(CCC=CCCC(=O)c2ncco2)n1.COc1nc2ccccc2cc1-c1cn(COCC[Si](C)(C)C)c(CCCCCCC(=O)c2ncco2)n1.COc1nc2ccccc2cc1-c1cnc(CCCCCCC(=O)c2ncco2)[nH]1.COc1nc2ccccc2cc1C(=O)CO.N.O=CC(F)(F)F
• InChI: InChI=1S/C29H38N4O4Si.C29H36N4O4Si.C23H24N4O3.C23H31N3O2Si.C17H17N3O.C17H17NO4.C12H11NO3.C8H9NO2.C5H8O2.C2HF3O.C2H4O2.8CH4.H3N/c2*1-35-28-23(19-22-11-9-10-12-24(22)32-28)25-20-33(21-36-17-18-38(2,3)4)27(31-25)14-8-6-5-7-13-26(34)29-30-15-16-37-29;1-29-22-17(14-16-8-6-7-9-18(16)27-22)19-15-25-21(26-19)11-5-3-2-4-10-20(28)23-24-12-13-30-23;1-6-7-12-22-24-21(16-26(22)17-28-13-14-29(3,4)5)19-15-18-10-8-9-11-20(18)25-23(19)27-2;1-3-4-9-16-18-11-15(19-16)13-10-12-7-5-6-8-14(12)20-17(13)21-2;1-3-4-9-16(20)22-11-15(19)13-10-12-7-5-6-8-14(12)18-17(13)21-2;1-16-12-9(11(15)7-14)6-8-4-2-3-5-10(8)13-12;1-2-3-4-7(10)8-9-5-6-11-8;1-2-3-4-5(6)7;3-2(4,5)1-6;1-2(3)4;;;;;;;;;/h9-12,15-16,19-20H,5-8,13-14,17-18,21H2,1-4H3;5-6,9-12,15-16,19-20H,7-8,13-14,17-18,21H2,1-4H3;6-9,12-15H,2-5,10-11H2,1H3,(H,25,26);6,8-11,15-16H,1,7,12-14,17H2,2-5H3;3,5-8,10-11H,1,4,9H2,2H3,(H,18,19);3,5-8,10H,1,4,9,11H2,2H3;2-6,14H,7H2,1H3;2,5-6H,1,3-4H2;2H,1,3-4H2,(H,6,7);1H;1H3,(H,3,4);8*1H4;1H3
• InChIKey: JVZYODNRAIFISI-UHFFFAOYSA-N
• XLogP: 40.93
• TPSA: 673.09 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 46
• Rotatable Bonds: 71
• Heavy Atoms: 231
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3232.15
LogP ≤ 5	40.93
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	46

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of acetic acid;azane;3-(2-but-3-enyl-1H-imidazol-5-yl)-2-methoxyquinoline;2-[[2-but-3-enyl-4-(2-methoxyquinolin-3-yl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;2-hydroxy-1-(2-methoxyquinolin-3-yl)ethanone;methane;7-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-1-(1,3-oxazol-2-yl)heptan-1-one;[2-(2-methoxyquinolin-3-yl)-2-oxoethyl] pent-4-enoate;7-[4-(2-methoxyquinolin-3-yl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-1-(1,3-oxazol-2-yl)heptan-1-one;7-[4-(2-methoxyquinolin-3-yl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-1-(1,3-oxazol-2-yl)hept-4-en-1-one;1-(1,3-oxazol-2-yl)pent-4-en-1-one;pent-4-enoic acid;2,2,2-trifluoroacetaldehyde?

The IUPAC name of acetic acid;azane;3-(2-but-3-enyl-1H-imidazol-5-yl)-2-methoxyquinoline;2-[[2-but-3-enyl-4-(2-methoxyquinolin-3-yl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;2-hydroxy-1-(2-methoxyquinolin-3-yl)ethanone;methane;7-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-1-(1,3-oxazol-2-yl)heptan-1-one;[2-(2-methoxyquinolin-3-yl)-2-oxoethyl] pent-4-enoate;7-[4-(2-methoxyquinolin-3-yl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-1-(1,3-oxazol-2-yl)heptan-1-one;7-[4-(2-methoxyquinolin-3-yl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-1-(1,3-oxazol-2-yl)hept-4-en-1-one;1-(1,3-oxazol-2-yl)pent-4-en-1-one;pent-4-enoic acid;2,2,2-trifluoroacetaldehyde (CID 158741207) is acetic acid;azane;3-(2-but-3-enyl-1H-imidazol-5-yl)-2-methoxyquinoline;2-[[2-but-3-enyl-4-(2-methoxyquinolin-3-yl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;2-hydroxy-1-(2-methoxyquinolin-3-yl)ethanone;methane;7-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-1-(1,3-oxazol-2-yl)heptan-1-one;[2-(2-methoxyquinolin-3-yl)-2-oxoethyl] pent-4-enoate;7-[4-(2-methoxyquinolin-3-yl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-1-(1,3-oxazol-2-yl)heptan-1-one;7-[4-(2-methoxyquinolin-3-yl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-1-(1,3-oxazol-2-yl)hept-4-en-1-one;1-(1,3-oxazol-2-yl)pent-4-en-1-one;pent-4-enoic acid;2,2,2-trifluoroacetaldehyde.

What is the SMILES notation for acetic acid;azane;3-(2-but-3-enyl-1H-imidazol-5-yl)-2-methoxyquinoline;2-[[2-but-3-enyl-4-(2-methoxyquinolin-3-yl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;2-hydroxy-1-(2-methoxyquinolin-3-yl)ethanone;methane;7-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-1-(1,3-oxazol-2-yl)heptan-1-one;[2-(2-methoxyquinolin-3-yl)-2-oxoethyl] pent-4-enoate;7-[4-(2-methoxyquinolin-3-yl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-1-(1,3-oxazol-2-yl)heptan-1-one;7-[4-(2-methoxyquinolin-3-yl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-1-(1,3-oxazol-2-yl)hept-4-en-1-one;1-(1,3-oxazol-2-yl)pent-4-en-1-one;pent-4-enoic acid;2,2,2-trifluoroacetaldehyde?

The canonical SMILES for acetic acid;azane;3-(2-but-3-enyl-1H-imidazol-5-yl)-2-methoxyquinoline;2-[[2-but-3-enyl-4-(2-methoxyquinolin-3-yl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;2-hydroxy-1-(2-methoxyquinolin-3-yl)ethanone;methane;7-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-1-(1,3-oxazol-2-yl)heptan-1-one;[2-(2-methoxyquinolin-3-yl)-2-oxoethyl] pent-4-enoate;7-[4-(2-methoxyquinolin-3-yl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-1-(1,3-oxazol-2-yl)heptan-1-one;7-[4-(2-methoxyquinolin-3-yl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-1-(1,3-oxazol-2-yl)hept-4-en-1-one;1-(1,3-oxazol-2-yl)pent-4-en-1-one;pent-4-enoic acid;2,2,2-trifluoroacetaldehyde is C.C.C.C.C.C.C.C.C=CCCC(=O)O.C=CCCC(=O)OCC(=O)c1cc2ccccc2nc1OC.C=CCCC(=O)c1ncco1.C=CCCc1nc(-c2cc3ccccc3nc2OC)cn1COCC[Si](C)(C)C.C=CCCc1ncc(-c2cc3ccccc3nc2OC)[nH]1.CC(=O)O.COc1nc2ccccc2cc1-c1cn(COCC[Si](C)(C)C)c(CCC=CCCC(=O)c2ncco2)n1.COc1nc2ccccc2cc1-c1cn(COCC[Si](C)(C)C)c(CCCCCCC(=O)c2ncco2)n1.COc1nc2ccccc2cc1-c1cnc(CCCCCCC(=O)c2ncco2)[nH]1.COc1nc2ccccc2cc1C(=O)CO.N.O=CC(F)(F)F.

What is the InChIKey of acetic acid;azane;3-(2-but-3-enyl-1H-imidazol-5-yl)-2-methoxyquinoline;2-[[2-but-3-enyl-4-(2-methoxyquinolin-3-yl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;2-hydroxy-1-(2-methoxyquinolin-3-yl)ethanone;methane;7-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-1-(1,3-oxazol-2-yl)heptan-1-one;[2-(2-methoxyquinolin-3-yl)-2-oxoethyl] pent-4-enoate;7-[4-(2-methoxyquinolin-3-yl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-1-(1,3-oxazol-2-yl)heptan-1-one;7-[4-(2-methoxyquinolin-3-yl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-1-(1,3-oxazol-2-yl)hept-4-en-1-one;1-(1,3-oxazol-2-yl)pent-4-en-1-one;pent-4-enoic acid;2,2,2-trifluoroacetaldehyde?

The InChIKey is JVZYODNRAIFISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N4O4Si.C29H36N4O4Si.C23H24N4O3.C23H31N3O2Si.C17H17N3O.C17H17NO4.C12H11NO3.C8H9NO2.C5H8O2.C2HF3O.C2H4O2.8CH4.H3N/c2*1-35-28-23(19-22-11-9-10-12-24(22)32-28)25-20-33(21-36-17-18-38(2,3)4)27(31-25)14-8-6-5-7-13-26(34)29-30-15-16-37-29;1-29-22-17(14-16-8-6-7-9-18(16)27-22)19-15-25-21(26-19)11-5-3-2-4-10-20(28)23-24-12-13-30-23;1-6-7-12-22-24-21(16-26(22)17-28-13-14-29(3,4)5)19-15-18-10-8-9-11-20(18)25-23(19)27-2;1-3-4-9-16-18-11-15(19-16)13-10-12-7-5-6-8-14(12)20-17(13)21-2;1-3-4-9-16(20)22-11-15(19)13-10-12-7-5-6-8-14(12)18-17(13)21-2;1-16-12-9(11(15)7-14)6-8-4-2-3-5-10(8)13-12;1-2-3-4-7(10)8-9-5-6-11-8;1-2-3-4-5(6)7;3-2(4,5)1-6;1-2(3)4;;;;;;;;;/h9-12,15-16,19-20H,5-8,13-14,17-18,21H2,1-4H3;5-6,9-12,15-16,19-20H,7-8,13-14,17-18,21H2,1-4H3;6-9,12-15H,2-5,10-11H2,1H3,(H,25,26);6,8-11,15-16H,1,7,12-14,17H2,2-5H3;3,5-8,10-11H,1,4,9H2,2H3,(H,18,19);3,5-8,10H,1,4,9,11H2,2H3;2-6,14H,7H2,1H3;2,5-6H,1,3-4H2;2H,1,3-4H2,(H,6,7);1H;1H3,(H,3,4);8*1H4;1H3.

What are the key properties of acetic acid;azane;3-(2-but-3-enyl-1H-imidazol-5-yl)-2-methoxyquinoline;2-[[2-but-3-enyl-4-(2-methoxyquinolin-3-yl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;2-hydroxy-1-(2-methoxyquinolin-3-yl)ethanone;methane;7-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-1-(1,3-oxazol-2-yl)heptan-1-one;[2-(2-methoxyquinolin-3-yl)-2-oxoethyl] pent-4-enoate;7-[4-(2-methoxyquinolin-3-yl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-1-(1,3-oxazol-2-yl)heptan-1-one;7-[4-(2-methoxyquinolin-3-yl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-1-(1,3-oxazol-2-yl)hept-4-en-1-one;1-(1,3-oxazol-2-yl)pent-4-en-1-one;pent-4-enoic acid;2,2,2-trifluoroacetaldehyde?

acetic acid;azane;3-(2-but-3-enyl-1H-imidazol-5-yl)-2-methoxyquinoline;2-[[2-but-3-enyl-4-(2-methoxyquinolin-3-yl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;2-hydroxy-1-(2-methoxyquinolin-3-yl)ethanone;methane;7-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-1-(1,3-oxazol-2-yl)heptan-1-one;[2-(2-methoxyquinolin-3-yl)-2-oxoethyl] pent-4-enoate;7-[4-(2-methoxyquinolin-3-yl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-1-(1,3-oxazol-2-yl)heptan-1-one;7-[4-(2-methoxyquinolin-3-yl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-1-(1,3-oxazol-2-yl)hept-4-en-1-one;1-(1,3-oxazol-2-yl)pent-4-en-1-one;pent-4-enoic acid;2,2,2-trifluoroacetaldehyde has a molecular weight of 3232.15 g/mol, XLogP of 40.93, 71 rotatable bonds, 6 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for acetic acid;azane;3-(2-but-3-enyl-1H-imidazol-5-yl)-2-methoxyquinoline;2-[[2-but-3-enyl-4-(2-methoxyquinolin-3-yl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;2-hydroxy-1-(2-methoxyquinolin-3-yl)ethanone;methane;7-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-1-(1,3-oxazol-2-yl)heptan-1-one;[2-(2-methoxyquinolin-3-yl)-2-oxoethyl] pent-4-enoate;7-[4-(2-methoxyquinolin-3-yl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-1-(1,3-oxazol-2-yl)heptan-1-one;7-[4-(2-methoxyquinolin-3-yl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-1-(1,3-oxazol-2-yl)hept-4-en-1-one;1-(1,3-oxazol-2-yl)pent-4-en-1-one;pent-4-enoic acid;2,2,2-trifluoroacetaldehyde is sourced from PubChem (CID 158741207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).