2-(4-acetylpiperazin-1-yl)-5-[8-(3-cyanophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;2-(4-acetylpiperazin-1-yl)-5-[8-(4-fluorophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;2-(3-aminoazetidin-1-yl)-5-[8-(3-cyanophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;3-[8-(furan-3-yl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;4-methyl-3-(3-methyl-2-oxo-8-thiophen-3-ylimidazo[4,5-c]quinolin-1-yl)benzonitrile

C138H109FN28O8S — CID 157205576

About 2-(4-acetylpiperazin-1-yl)-5-[8-(3-cyanophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;2-(4-acetylpiperazin-1-yl)-5-[8-(4-fluorophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;2-(3-aminoazetidin-1-yl)-5-[8-(3-cyanophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;3-[8-(furan-3-yl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;4-methyl-3-(3-methyl-2-oxo-8-thiophen-3-ylimidazo[4,5-c]quinolin-1-yl)benzonitrile

2-(4-acetylpiperazin-1-yl)-5-[8-(3-cyanophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;2-(4-acetylpiperazin-1-yl)-5-[8-(4-fluorophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;2-(3-aminoazetidin-1-yl)-5-[8-(3-cyanophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;3-[8-(furan-3-yl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;4-methyl-3-(3-methyl-2-oxo-8-thiophen-3-ylimidazo[4,5-c]quinolin-1-yl)benzonitrile (PubChem CID 157205576) has the molecular formula C138H109FN28O8S and a molecular weight of 2338.64 g/mol. Its IUPAC name is 2-(4-acetylpiperazin-1-yl)-5-[8-(3-cyanophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;2-(4-acetylpiperazin-1-yl)-5-[8-(4-fluorophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;2-(3-aminoazetidin-1-yl)-5-[8-(3-cyanophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;3-[8-(furan-3-yl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;4-methyl-3-(3-methyl-2-oxo-8-thiophen-3-ylimidazo[4,5-c]quinolin-1-yl)benzonitrile.

Molecular Properties

• Compound Name: 2-(4-acetylpiperazin-1-yl)-5-[8-(3-cyanophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;2-(4-acetylpiperazin-1-yl)-5-[8-(4-fluorophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;2-(3-aminoazetidin-1-yl)-5-[8-(3-cyanophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;3-[8-(furan-3-yl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;4-methyl-3-(3-methyl-2-oxo-8-thiophen-3-ylimidazo[4,5-c]quinolin-1-yl)benzonitrile
• PubChem CID: 157205576
• Molecular Formula: C138H109FN28O8S
• Molecular Weight: 2338.64 g/mol
• Exact Mass: 2336.87
• IUPAC Name: 2-(4-acetylpiperazin-1-yl)-5-[8-(3-cyanophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;2-(4-acetylpiperazin-1-yl)-5-[8-(4-fluorophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;2-(3-aminoazetidin-1-yl)-5-[8-(3-cyanophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;3-[8-(furan-3-yl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;4-methyl-3-(3-methyl-2-oxo-8-thiophen-3-ylimidazo[4,5-c]quinolin-1-yl)benzonitrile
• SMILES: CC(=O)N1CCN(c2cc(C)c(-n3c(=O)n(C)c4cnc5ccc(-c6ccc(F)cc6)cc5c43)cc2C#N)CC1.CC(=O)N1CCN(c2cc(C)c(-n3c(=O)n(C)c4cnc5ccc(-c6cccc(C#N)c6)cc5c43)cc2C#N)CC1.Cc1cc(N2CC(N)C2)c(C#N)cc1-n1c(=O)n(C)c2cnc3ccc(-c4cccc(C#N)c4)cc3c21.Cc1ccc(C#N)cc1-n1c(=O)n(C)c2cnc3ccc(-c4ccoc4)cc3c21.Cc1ccc(C#N)cc1-n1c(=O)n(C)c2cnc3ccc(-c4ccsc4)cc3c21
• InChI: InChI=1S/C32H27N7O2.C31H27FN6O2.C29H23N7O.C23H16N4O2.C23H16N4OS/c1-20-13-29(38-11-9-37(10-12-38)21(2)40)25(18-34)16-28(20)39-31-26-15-24(23-6-4-5-22(14-23)17-33)7-8-27(26)35-19-30(31)36(3)32(39)41;1-19-14-28(37-12-10-36(11-13-37)20(2)39)23(17-33)16-27(19)38-30-25-15-22(21-4-7-24(32)8-5-21)6-9-26(25)34-18-29(30)35(3)31(38)40;1-17-8-26(35-15-22(32)16-35)21(13-31)11-25(17)36-28-23-10-20(19-5-3-4-18(9-19)12-30)6-7-24(23)33-14-27(28)34(2)29(36)37;2*1-14-3-4-15(11-24)9-20(14)27-22-18-10-16(17-7-8-29-13-17)5-6-19(18)25-12-21(22)26(2)23(27)28/h4-8,13-16,19H,9-12H2,1-3H3;4-9,14-16,18H,10-13H2,1-3H3;3-11,14,22H,15-16,32H2,1-2H3;2*3-10,12-13H,1-2H3
• InChIKey: ARHWTCUMRLPKRQ-UHFFFAOYSA-N
• XLogP: 21.64
• TPSA: 455.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 35
• Rotatable Bonds: 13
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2338.64
LogP ≤ 5	21.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazin-1-yl)-5-[8-(3-cyanophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;2-(4-acetylpiperazin-1-yl)-5-[8-(4-fluorophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;2-(3-aminoazetidin-1-yl)-5-[8-(3-cyanophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;3-[8-(furan-3-yl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;4-methyl-3-(3-methyl-2-oxo-8-thiophen-3-ylimidazo[4,5-c]quinolin-1-yl)benzonitrile?

The IUPAC name of 2-(4-acetylpiperazin-1-yl)-5-[8-(3-cyanophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;2-(4-acetylpiperazin-1-yl)-5-[8-(4-fluorophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;2-(3-aminoazetidin-1-yl)-5-[8-(3-cyanophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;3-[8-(furan-3-yl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;4-methyl-3-(3-methyl-2-oxo-8-thiophen-3-ylimidazo[4,5-c]quinolin-1-yl)benzonitrile (CID 157205576) is 2-(4-acetylpiperazin-1-yl)-5-[8-(3-cyanophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;2-(4-acetylpiperazin-1-yl)-5-[8-(4-fluorophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;2-(3-aminoazetidin-1-yl)-5-[8-(3-cyanophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;3-[8-(furan-3-yl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;4-methyl-3-(3-methyl-2-oxo-8-thiophen-3-ylimidazo[4,5-c]quinolin-1-yl)benzonitrile.

What is the SMILES notation for 2-(4-acetylpiperazin-1-yl)-5-[8-(3-cyanophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;2-(4-acetylpiperazin-1-yl)-5-[8-(4-fluorophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;2-(3-aminoazetidin-1-yl)-5-[8-(3-cyanophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;3-[8-(furan-3-yl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;4-methyl-3-(3-methyl-2-oxo-8-thiophen-3-ylimidazo[4,5-c]quinolin-1-yl)benzonitrile?

The canonical SMILES for 2-(4-acetylpiperazin-1-yl)-5-[8-(3-cyanophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;2-(4-acetylpiperazin-1-yl)-5-[8-(4-fluorophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;2-(3-aminoazetidin-1-yl)-5-[8-(3-cyanophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;3-[8-(furan-3-yl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;4-methyl-3-(3-methyl-2-oxo-8-thiophen-3-ylimidazo[4,5-c]quinolin-1-yl)benzonitrile is CC(=O)N1CCN(c2cc(C)c(-n3c(=O)n(C)c4cnc5ccc(-c6ccc(F)cc6)cc5c43)cc2C#N)CC1.CC(=O)N1CCN(c2cc(C)c(-n3c(=O)n(C)c4cnc5ccc(-c6cccc(C#N)c6)cc5c43)cc2C#N)CC1.Cc1cc(N2CC(N)C2)c(C#N)cc1-n1c(=O)n(C)c2cnc3ccc(-c4cccc(C#N)c4)cc3c21.Cc1ccc(C#N)cc1-n1c(=O)n(C)c2cnc3ccc(-c4ccoc4)cc3c21.Cc1ccc(C#N)cc1-n1c(=O)n(C)c2cnc3ccc(-c4ccsc4)cc3c21.

What is the InChIKey of 2-(4-acetylpiperazin-1-yl)-5-[8-(3-cyanophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;2-(4-acetylpiperazin-1-yl)-5-[8-(4-fluorophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;2-(3-aminoazetidin-1-yl)-5-[8-(3-cyanophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;3-[8-(furan-3-yl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;4-methyl-3-(3-methyl-2-oxo-8-thiophen-3-ylimidazo[4,5-c]quinolin-1-yl)benzonitrile?

The InChIKey is ARHWTCUMRLPKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27N7O2.C31H27FN6O2.C29H23N7O.C23H16N4O2.C23H16N4OS/c1-20-13-29(38-11-9-37(10-12-38)21(2)40)25(18-34)16-28(20)39-31-26-15-24(23-6-4-5-22(14-23)17-33)7-8-27(26)35-19-30(31)36(3)32(39)41;1-19-14-28(37-12-10-36(11-13-37)20(2)39)23(17-33)16-27(19)38-30-25-15-22(21-4-7-24(32)8-5-21)6-9-26(25)34-18-29(30)35(3)31(38)40;1-17-8-26(35-15-22(32)16-35)21(13-31)11-25(17)36-28-23-10-20(19-5-3-4-18(9-19)12-30)6-7-24(23)33-14-27(28)34(2)29(36)37;2*1-14-3-4-15(11-24)9-20(14)27-22-18-10-16(17-7-8-29-13-17)5-6-19(18)25-12-21(22)26(2)23(27)28/h4-8,13-16,19H,9-12H2,1-3H3;4-9,14-16,18H,10-13H2,1-3H3;3-11,14,22H,15-16,32H2,1-2H3;2*3-10,12-13H,1-2H3.

What are the key properties of 2-(4-acetylpiperazin-1-yl)-5-[8-(3-cyanophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;2-(4-acetylpiperazin-1-yl)-5-[8-(4-fluorophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;2-(3-aminoazetidin-1-yl)-5-[8-(3-cyanophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;3-[8-(furan-3-yl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;4-methyl-3-(3-methyl-2-oxo-8-thiophen-3-ylimidazo[4,5-c]quinolin-1-yl)benzonitrile?

2-(4-acetylpiperazin-1-yl)-5-[8-(3-cyanophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;2-(4-acetylpiperazin-1-yl)-5-[8-(4-fluorophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;2-(3-aminoazetidin-1-yl)-5-[8-(3-cyanophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;3-[8-(furan-3-yl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;4-methyl-3-(3-methyl-2-oxo-8-thiophen-3-ylimidazo[4,5-c]quinolin-1-yl)benzonitrile has a molecular weight of 2338.64 g/mol, XLogP of 21.64, 13 rotatable bonds, 1 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-acetylpiperazin-1-yl)-5-[8-(3-cyanophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;2-(4-acetylpiperazin-1-yl)-5-[8-(4-fluorophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;2-(3-aminoazetidin-1-yl)-5-[8-(3-cyanophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;3-[8-(furan-3-yl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;4-methyl-3-(3-methyl-2-oxo-8-thiophen-3-ylimidazo[4,5-c]quinolin-1-yl)benzonitrile is sourced from PubChem (CID 157205576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).