1-[1-[2-[1-(2-fluoro-4-methylphenyl)sulfonylpiperidin-4-yl]ethoxy]butan-2-yl]imidazo[4,5-c]quinolin-4-amine;1-[1-[2-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]ethoxy]butan-2-yl]imidazo[4,5-c]quinolin-4-amine;1-[1-[2-[1-(4-methylsulfonylphenyl)sulfonylpiperidin-4-yl]ethoxy]butan-2-yl]imidazo[4,5-c]quinolin-4-amine;1-[1-[2-(1-quinolin-8-ylsulfonylpiperidin-4-yl)ethoxy]butan-2-yl]imidazo[4,5-c]quinolin-4-amine

C114H138FN21O15S5 — CID 91224775

About 1-[1-[2-[1-(2-fluoro-4-methylphenyl)sulfonylpiperidin-4-yl]ethoxy]butan-2-yl]imidazo[4,5-c]quinolin-4-amine;1-[1-[2-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]ethoxy]butan-2-yl]imidazo[4,5-c]quinolin-4-amine;1-[1-[2-[1-(4-methylsulfonylphenyl)sulfonylpiperidin-4-yl]ethoxy]butan-2-yl]imidazo[4,5-c]quinolin-4-amine;1-[1-[2-(1-quinolin-8-ylsulfonylpiperidin-4-yl)ethoxy]butan-2-yl]imidazo[4,5-c]quinolin-4-amine

1-[1-[2-[1-(2-fluoro-4-methylphenyl)sulfonylpiperidin-4-yl]ethoxy]butan-2-yl]imidazo[4,5-c]quinolin-4-amine;1-[1-[2-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]ethoxy]butan-2-yl]imidazo[4,5-c]quinolin-4-amine;1-[1-[2-[1-(4-methylsulfonylphenyl)sulfonylpiperidin-4-yl]ethoxy]butan-2-yl]imidazo[4,5-c]quinolin-4-amine;1-[1-[2-(1-quinolin-8-ylsulfonylpiperidin-4-yl)ethoxy]butan-2-yl]imidazo[4,5-c]quinolin-4-amine (PubChem CID 91224775) has the molecular formula C114H138FN21O15S5 and a molecular weight of 2221.82 g/mol. Its IUPAC name is 1-[1-[2-[1-(2-fluoro-4-methylphenyl)sulfonylpiperidin-4-yl]ethoxy]butan-2-yl]imidazo[4,5-c]quinolin-4-amine;1-[1-[2-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]ethoxy]butan-2-yl]imidazo[4,5-c]quinolin-4-amine;1-[1-[2-[1-(4-methylsulfonylphenyl)sulfonylpiperidin-4-yl]ethoxy]butan-2-yl]imidazo[4,5-c]quinolin-4-amine;1-[1-[2-(1-quinolin-8-ylsulfonylpiperidin-4-yl)ethoxy]butan-2-yl]imidazo[4,5-c]quinolin-4-amine.

Molecular Properties

• Compound Name: 1-[1-[2-[1-(2-fluoro-4-methylphenyl)sulfonylpiperidin-4-yl]ethoxy]butan-2-yl]imidazo[4,5-c]quinolin-4-amine;1-[1-[2-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]ethoxy]butan-2-yl]imidazo[4,5-c]quinolin-4-amine;1-[1-[2-[1-(4-methylsulfonylphenyl)sulfonylpiperidin-4-yl]ethoxy]butan-2-yl]imidazo[4,5-c]quinolin-4-amine;1-[1-[2-(1-quinolin-8-ylsulfonylpiperidin-4-yl)ethoxy]butan-2-yl]imidazo[4,5-c]quinolin-4-amine
• PubChem CID: 91224775
• Molecular Formula: C114H138FN21O15S5
• Molecular Weight: 2221.82 g/mol
• Exact Mass: 2219.93
• IUPAC Name: 1-[1-[2-[1-(2-fluoro-4-methylphenyl)sulfonylpiperidin-4-yl]ethoxy]butan-2-yl]imidazo[4,5-c]quinolin-4-amine;1-[1-[2-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]ethoxy]butan-2-yl]imidazo[4,5-c]quinolin-4-amine;1-[1-[2-[1-(4-methylsulfonylphenyl)sulfonylpiperidin-4-yl]ethoxy]butan-2-yl]imidazo[4,5-c]quinolin-4-amine;1-[1-[2-(1-quinolin-8-ylsulfonylpiperidin-4-yl)ethoxy]butan-2-yl]imidazo[4,5-c]quinolin-4-amine
• SMILES: CCC(COCCC1CCN(S(=O)(=O)c2ccc(C)cc2F)CC1)n1cnc2c(N)nc3ccccc3c21.CCC(COCCC1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1)n1cnc2c(N)nc3ccccc3c21.CCC(COCCC1CCN(S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)CC1)n1cnc2c(N)nc3ccccc3c21.CCC(COCCC1CCN(S(=O)(=O)c2cccc3cccnc23)CC1)n1cnc2c(N)nc3ccccc3c21
• InChI: InChI=1S/C30H34N6O3S.C28H34FN5O3S.C28H35N5O5S2.C28H35N5O4S/c1-2-23(36-20-33-28-29(36)24-9-3-4-10-25(24)34-30(28)31)19-39-18-14-21-12-16-35(17-13-21)40(37,38)26-11-5-7-22-8-6-15-32-27(22)26;1-3-21(34-18-31-26-27(34)22-6-4-5-7-24(22)32-28(26)30)17-37-15-12-20-10-13-33(14-11-20)38(35,36)25-9-8-19(2)16-23(25)29;1-3-21(33-19-30-26-27(33)24-6-4-5-7-25(24)31-28(26)29)18-38-17-14-20-12-15-32(16-13-20)40(36,37)23-10-8-22(9-11-23)39(2,34)35;1-3-21(33-19-30-26-27(33)24-6-4-5-7-25(24)31-28(26)29)18-37-17-14-20-12-15-32(16-13-20)38(34,35)23-10-8-22(36-2)9-11-23/h3-11,15,20-21,23H,2,12-14,16-19H2,1H3,(H2,31,34);4-9,16,18,20-21H,3,10-15,17H2,1-2H3,(H2,30,32);4-11,19-21H,3,12-18H2,1-2H3,(H2,29,31);4-11,19-21H,3,12-18H2,1-2H3,(H2,29,31)
• InChIKey: XZTBISHYBCQVHW-UHFFFAOYSA-N
• XLogP: 18.91
• TPSA: 469.62 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 32
• Rotatable Bonds: 38
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2221.82
LogP ≤ 5	18.91
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-[1-(2-fluoro-4-methylphenyl)sulfonylpiperidin-4-yl]ethoxy]butan-2-yl]imidazo[4,5-c]quinolin-4-amine;1-[1-[2-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]ethoxy]butan-2-yl]imidazo[4,5-c]quinolin-4-amine;1-[1-[2-[1-(4-methylsulfonylphenyl)sulfonylpiperidin-4-yl]ethoxy]butan-2-yl]imidazo[4,5-c]quinolin-4-amine;1-[1-[2-(1-quinolin-8-ylsulfonylpiperidin-4-yl)ethoxy]butan-2-yl]imidazo[4,5-c]quinolin-4-amine?

The IUPAC name of 1-[1-[2-[1-(2-fluoro-4-methylphenyl)sulfonylpiperidin-4-yl]ethoxy]butan-2-yl]imidazo[4,5-c]quinolin-4-amine;1-[1-[2-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]ethoxy]butan-2-yl]imidazo[4,5-c]quinolin-4-amine;1-[1-[2-[1-(4-methylsulfonylphenyl)sulfonylpiperidin-4-yl]ethoxy]butan-2-yl]imidazo[4,5-c]quinolin-4-amine;1-[1-[2-(1-quinolin-8-ylsulfonylpiperidin-4-yl)ethoxy]butan-2-yl]imidazo[4,5-c]quinolin-4-amine (CID 91224775) is 1-[1-[2-[1-(2-fluoro-4-methylphenyl)sulfonylpiperidin-4-yl]ethoxy]butan-2-yl]imidazo[4,5-c]quinolin-4-amine;1-[1-[2-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]ethoxy]butan-2-yl]imidazo[4,5-c]quinolin-4-amine;1-[1-[2-[1-(4-methylsulfonylphenyl)sulfonylpiperidin-4-yl]ethoxy]butan-2-yl]imidazo[4,5-c]quinolin-4-amine;1-[1-[2-(1-quinolin-8-ylsulfonylpiperidin-4-yl)ethoxy]butan-2-yl]imidazo[4,5-c]quinolin-4-amine.

What is the SMILES notation for 1-[1-[2-[1-(2-fluoro-4-methylphenyl)sulfonylpiperidin-4-yl]ethoxy]butan-2-yl]imidazo[4,5-c]quinolin-4-amine;1-[1-[2-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]ethoxy]butan-2-yl]imidazo[4,5-c]quinolin-4-amine;1-[1-[2-[1-(4-methylsulfonylphenyl)sulfonylpiperidin-4-yl]ethoxy]butan-2-yl]imidazo[4,5-c]quinolin-4-amine;1-[1-[2-(1-quinolin-8-ylsulfonylpiperidin-4-yl)ethoxy]butan-2-yl]imidazo[4,5-c]quinolin-4-amine?

The canonical SMILES for 1-[1-[2-[1-(2-fluoro-4-methylphenyl)sulfonylpiperidin-4-yl]ethoxy]butan-2-yl]imidazo[4,5-c]quinolin-4-amine;1-[1-[2-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]ethoxy]butan-2-yl]imidazo[4,5-c]quinolin-4-amine;1-[1-[2-[1-(4-methylsulfonylphenyl)sulfonylpiperidin-4-yl]ethoxy]butan-2-yl]imidazo[4,5-c]quinolin-4-amine;1-[1-[2-(1-quinolin-8-ylsulfonylpiperidin-4-yl)ethoxy]butan-2-yl]imidazo[4,5-c]quinolin-4-amine is CCC(COCCC1CCN(S(=O)(=O)c2ccc(C)cc2F)CC1)n1cnc2c(N)nc3ccccc3c21.CCC(COCCC1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1)n1cnc2c(N)nc3ccccc3c21.CCC(COCCC1CCN(S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)CC1)n1cnc2c(N)nc3ccccc3c21.CCC(COCCC1CCN(S(=O)(=O)c2cccc3cccnc23)CC1)n1cnc2c(N)nc3ccccc3c21.

What is the InChIKey of 1-[1-[2-[1-(2-fluoro-4-methylphenyl)sulfonylpiperidin-4-yl]ethoxy]butan-2-yl]imidazo[4,5-c]quinolin-4-amine;1-[1-[2-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]ethoxy]butan-2-yl]imidazo[4,5-c]quinolin-4-amine;1-[1-[2-[1-(4-methylsulfonylphenyl)sulfonylpiperidin-4-yl]ethoxy]butan-2-yl]imidazo[4,5-c]quinolin-4-amine;1-[1-[2-(1-quinolin-8-ylsulfonylpiperidin-4-yl)ethoxy]butan-2-yl]imidazo[4,5-c]quinolin-4-amine?

The InChIKey is XZTBISHYBCQVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N6O3S.C28H34FN5O3S.C28H35N5O5S2.C28H35N5O4S/c1-2-23(36-20-33-28-29(36)24-9-3-4-10-25(24)34-30(28)31)19-39-18-14-21-12-16-35(17-13-21)40(37,38)26-11-5-7-22-8-6-15-32-27(22)26;1-3-21(34-18-31-26-27(34)22-6-4-5-7-24(22)32-28(26)30)17-37-15-12-20-10-13-33(14-11-20)38(35,36)25-9-8-19(2)16-23(25)29;1-3-21(33-19-30-26-27(33)24-6-4-5-7-25(24)31-28(26)29)18-38-17-14-20-12-15-32(16-13-20)40(36,37)23-10-8-22(9-11-23)39(2,34)35;1-3-21(33-19-30-26-27(33)24-6-4-5-7-25(24)31-28(26)29)18-37-17-14-20-12-15-32(16-13-20)38(34,35)23-10-8-22(36-2)9-11-23/h3-11,15,20-21,23H,2,12-14,16-19H2,1H3,(H2,31,34);4-9,16,18,20-21H,3,10-15,17H2,1-2H3,(H2,30,32);4-11,19-21H,3,12-18H2,1-2H3,(H2,29,31);4-11,19-21H,3,12-18H2,1-2H3,(H2,29,31).

What are the key properties of 1-[1-[2-[1-(2-fluoro-4-methylphenyl)sulfonylpiperidin-4-yl]ethoxy]butan-2-yl]imidazo[4,5-c]quinolin-4-amine;1-[1-[2-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]ethoxy]butan-2-yl]imidazo[4,5-c]quinolin-4-amine;1-[1-[2-[1-(4-methylsulfonylphenyl)sulfonylpiperidin-4-yl]ethoxy]butan-2-yl]imidazo[4,5-c]quinolin-4-amine;1-[1-[2-(1-quinolin-8-ylsulfonylpiperidin-4-yl)ethoxy]butan-2-yl]imidazo[4,5-c]quinolin-4-amine?

1-[1-[2-[1-(2-fluoro-4-methylphenyl)sulfonylpiperidin-4-yl]ethoxy]butan-2-yl]imidazo[4,5-c]quinolin-4-amine;1-[1-[2-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]ethoxy]butan-2-yl]imidazo[4,5-c]quinolin-4-amine;1-[1-[2-[1-(4-methylsulfonylphenyl)sulfonylpiperidin-4-yl]ethoxy]butan-2-yl]imidazo[4,5-c]quinolin-4-amine;1-[1-[2-(1-quinolin-8-ylsulfonylpiperidin-4-yl)ethoxy]butan-2-yl]imidazo[4,5-c]quinolin-4-amine has a molecular weight of 2221.82 g/mol, XLogP of 18.91, 38 rotatable bonds, 4 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[2-[1-(2-fluoro-4-methylphenyl)sulfonylpiperidin-4-yl]ethoxy]butan-2-yl]imidazo[4,5-c]quinolin-4-amine;1-[1-[2-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]ethoxy]butan-2-yl]imidazo[4,5-c]quinolin-4-amine;1-[1-[2-[1-(4-methylsulfonylphenyl)sulfonylpiperidin-4-yl]ethoxy]butan-2-yl]imidazo[4,5-c]quinolin-4-amine;1-[1-[2-(1-quinolin-8-ylsulfonylpiperidin-4-yl)ethoxy]butan-2-yl]imidazo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 91224775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).