3-[8-[4-(2-aminoethyl)phenyl]-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]benzonitrile;5-[8-(4-chlorophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methyl-2-piperazin-1-ylbenzonitrile;3-[8-(3-cyanophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;5-[8-(4-fluorophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methyl-2-piperazin-1-ylbenzonitrile;5-[8-(4-fluorophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-2-piperazin-1-ylbenzonitrile

C138H111ClF2N28O5 — CID 159292799

About 3-[8-[4-(2-aminoethyl)phenyl]-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]benzonitrile;5-[8-(4-chlorophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methyl-2-piperazin-1-ylbenzonitrile;3-[8-(3-cyanophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;5-[8-(4-fluorophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methyl-2-piperazin-1-ylbenzonitrile;5-[8-(4-fluorophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-2-piperazin-1-ylbenzonitrile

3-[8-[4-(2-aminoethyl)phenyl]-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]benzonitrile;5-[8-(4-chlorophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methyl-2-piperazin-1-ylbenzonitrile;3-[8-(3-cyanophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;5-[8-(4-fluorophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methyl-2-piperazin-1-ylbenzonitrile;5-[8-(4-fluorophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-2-piperazin-1-ylbenzonitrile (PubChem CID 159292799) has the molecular formula C138H111ClF2N28O5 and a molecular weight of 2315.05 g/mol. Its IUPAC name is 3-[8-[4-(2-aminoethyl)phenyl]-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]benzonitrile;5-[8-(4-chlorophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methyl-2-piperazin-1-ylbenzonitrile;3-[8-(3-cyanophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;5-[8-(4-fluorophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methyl-2-piperazin-1-ylbenzonitrile;5-[8-(4-fluorophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-2-piperazin-1-ylbenzonitrile.

Molecular Properties

• Compound Name: 3-[8-[4-(2-aminoethyl)phenyl]-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]benzonitrile;5-[8-(4-chlorophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methyl-2-piperazin-1-ylbenzonitrile;3-[8-(3-cyanophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;5-[8-(4-fluorophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methyl-2-piperazin-1-ylbenzonitrile;5-[8-(4-fluorophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-2-piperazin-1-ylbenzonitrile
• PubChem CID: 159292799
• Molecular Formula: C138H111ClF2N28O5
• Molecular Weight: 2315.05 g/mol
• Exact Mass: 2312.89
• IUPAC Name: 3-[8-[4-(2-aminoethyl)phenyl]-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]benzonitrile;5-[8-(4-chlorophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methyl-2-piperazin-1-ylbenzonitrile;3-[8-(3-cyanophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;5-[8-(4-fluorophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methyl-2-piperazin-1-ylbenzonitrile;5-[8-(4-fluorophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-2-piperazin-1-ylbenzonitrile
• SMILES: Cc1cc(N2CCNCC2)c(C#N)cc1-n1c(=O)n(C)c2cnc3ccc(-c4ccc(Cl)cc4)cc3c21.Cc1cc(N2CCNCC2)c(C#N)cc1-n1c(=O)n(C)c2cnc3ccc(-c4ccc(F)cc4)cc3c21.Cc1ccc(C#N)cc1-n1c(=O)n(C)c2cnc3ccc(-c4cccc(C#N)c4)cc3c21.Cn1c(=O)n(-c2ccc(N3CCNCC3)c(C#N)c2)c2c3cc(-c4ccc(F)cc4)ccc3ncc21.Cn1c(=O)n(-c2cccc(C#N)c2)c2c3cc(-c4ccc(CCN)cc4)ccc3ncc21
• InChI: InChI=1S/C29H25ClN6O.C29H25FN6O.C28H23FN6O.C26H17N5O.C26H21N5O/c2*1-18-13-26(35-11-9-32-10-12-35)21(16-31)15-25(18)36-28-23-14-20(19-3-6-22(30)7-4-19)5-8-24(23)33-17-27(28)34(2)29(36)37;1-33-26-17-32-24-8-4-19(18-2-5-21(29)6-3-18)15-23(24)27(26)35(28(33)36)22-7-9-25(20(14-22)16-30)34-12-10-31-11-13-34;1-16-6-7-18(14-28)11-23(16)31-25-21-12-20(19-5-3-4-17(10-19)13-27)8-9-22(21)29-15-24(25)30(2)26(31)32;1-30-24-16-29-23-10-9-20(19-7-5-17(6-8-19)11-12-27)14-22(23)25(24)31(26(30)32)21-4-2-3-18(13-21)15-28/h2*3-8,13-15,17,32H,9-12H2,1-2H3;2-9,14-15,17,31H,10-13H2,1H3;3-12,15H,1-2H3;2-10,13-14,16H,11-12,27H2,1H3
• InChIKey: LAIKIBQSIAULMJ-UHFFFAOYSA-N
• XLogP: 21.54
• TPSA: 413.67 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 33
• Rotatable Bonds: 15
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2315.05
LogP ≤ 5	21.54
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[8-[4-(2-aminoethyl)phenyl]-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]benzonitrile;5-[8-(4-chlorophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methyl-2-piperazin-1-ylbenzonitrile;3-[8-(3-cyanophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;5-[8-(4-fluorophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methyl-2-piperazin-1-ylbenzonitrile;5-[8-(4-fluorophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-2-piperazin-1-ylbenzonitrile?

The IUPAC name of 3-[8-[4-(2-aminoethyl)phenyl]-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]benzonitrile;5-[8-(4-chlorophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methyl-2-piperazin-1-ylbenzonitrile;3-[8-(3-cyanophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;5-[8-(4-fluorophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methyl-2-piperazin-1-ylbenzonitrile;5-[8-(4-fluorophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-2-piperazin-1-ylbenzonitrile (CID 159292799) is 3-[8-[4-(2-aminoethyl)phenyl]-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]benzonitrile;5-[8-(4-chlorophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methyl-2-piperazin-1-ylbenzonitrile;3-[8-(3-cyanophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;5-[8-(4-fluorophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methyl-2-piperazin-1-ylbenzonitrile;5-[8-(4-fluorophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-2-piperazin-1-ylbenzonitrile.

What is the SMILES notation for 3-[8-[4-(2-aminoethyl)phenyl]-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]benzonitrile;5-[8-(4-chlorophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methyl-2-piperazin-1-ylbenzonitrile;3-[8-(3-cyanophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;5-[8-(4-fluorophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methyl-2-piperazin-1-ylbenzonitrile;5-[8-(4-fluorophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-2-piperazin-1-ylbenzonitrile?

The canonical SMILES for 3-[8-[4-(2-aminoethyl)phenyl]-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]benzonitrile;5-[8-(4-chlorophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methyl-2-piperazin-1-ylbenzonitrile;3-[8-(3-cyanophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;5-[8-(4-fluorophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methyl-2-piperazin-1-ylbenzonitrile;5-[8-(4-fluorophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-2-piperazin-1-ylbenzonitrile is Cc1cc(N2CCNCC2)c(C#N)cc1-n1c(=O)n(C)c2cnc3ccc(-c4ccc(Cl)cc4)cc3c21.Cc1cc(N2CCNCC2)c(C#N)cc1-n1c(=O)n(C)c2cnc3ccc(-c4ccc(F)cc4)cc3c21.Cc1ccc(C#N)cc1-n1c(=O)n(C)c2cnc3ccc(-c4cccc(C#N)c4)cc3c21.Cn1c(=O)n(-c2ccc(N3CCNCC3)c(C#N)c2)c2c3cc(-c4ccc(F)cc4)ccc3ncc21.Cn1c(=O)n(-c2cccc(C#N)c2)c2c3cc(-c4ccc(CCN)cc4)ccc3ncc21.

What is the InChIKey of 3-[8-[4-(2-aminoethyl)phenyl]-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]benzonitrile;5-[8-(4-chlorophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methyl-2-piperazin-1-ylbenzonitrile;3-[8-(3-cyanophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;5-[8-(4-fluorophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methyl-2-piperazin-1-ylbenzonitrile;5-[8-(4-fluorophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-2-piperazin-1-ylbenzonitrile?

The InChIKey is LAIKIBQSIAULMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25ClN6O.C29H25FN6O.C28H23FN6O.C26H17N5O.C26H21N5O/c2*1-18-13-26(35-11-9-32-10-12-35)21(16-31)15-25(18)36-28-23-14-20(19-3-6-22(30)7-4-19)5-8-24(23)33-17-27(28)34(2)29(36)37;1-33-26-17-32-24-8-4-19(18-2-5-21(29)6-3-18)15-23(24)27(26)35(28(33)36)22-7-9-25(20(14-22)16-30)34-12-10-31-11-13-34;1-16-6-7-18(14-28)11-23(16)31-25-21-12-20(19-5-3-4-17(10-19)13-27)8-9-22(21)29-15-24(25)30(2)26(31)32;1-30-24-16-29-23-10-9-20(19-7-5-17(6-8-19)11-12-27)14-22(23)25(24)31(26(30)32)21-4-2-3-18(13-21)15-28/h2*3-8,13-15,17,32H,9-12H2,1-2H3;2-9,14-15,17,31H,10-13H2,1H3;3-12,15H,1-2H3;2-10,13-14,16H,11-12,27H2,1H3.

What are the key properties of 3-[8-[4-(2-aminoethyl)phenyl]-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]benzonitrile;5-[8-(4-chlorophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methyl-2-piperazin-1-ylbenzonitrile;3-[8-(3-cyanophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;5-[8-(4-fluorophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methyl-2-piperazin-1-ylbenzonitrile;5-[8-(4-fluorophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-2-piperazin-1-ylbenzonitrile?

3-[8-[4-(2-aminoethyl)phenyl]-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]benzonitrile;5-[8-(4-chlorophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methyl-2-piperazin-1-ylbenzonitrile;3-[8-(3-cyanophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;5-[8-(4-fluorophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methyl-2-piperazin-1-ylbenzonitrile;5-[8-(4-fluorophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-2-piperazin-1-ylbenzonitrile has a molecular weight of 2315.05 g/mol, XLogP of 21.54, 15 rotatable bonds, 4 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[8-[4-(2-aminoethyl)phenyl]-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]benzonitrile;5-[8-(4-chlorophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methyl-2-piperazin-1-ylbenzonitrile;3-[8-(3-cyanophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;5-[8-(4-fluorophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methyl-2-piperazin-1-ylbenzonitrile;5-[8-(4-fluorophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-2-piperazin-1-ylbenzonitrile is sourced from PubChem (CID 159292799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).