N-(1-ethylsulfonylpiperidin-4-yl)-6-[(2Z,4Z)-hexa-2,4-dienyl]isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(3-methylphenyl)isoquinolin-8-amine;3-[8-[1-(3-methylimidazole-4-carbonyl)azetidin-3-yl]oxyisoquinolin-6-yl]benzonitrile;3-[8-[(1-morpholin-4-ylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile;3-[8-[(1-pyridin-2-ylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile

C120H125N21O11S4 — CID 161174456

About N-(1-ethylsulfonylpiperidin-4-yl)-6-[(2Z,4Z)-hexa-2,4-dienyl]isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(3-methylphenyl)isoquinolin-8-amine;3-[8-[1-(3-methylimidazole-4-carbonyl)azetidin-3-yl]oxyisoquinolin-6-yl]benzonitrile;3-[8-[(1-morpholin-4-ylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile;3-[8-[(1-pyridin-2-ylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile

N-(1-ethylsulfonylpiperidin-4-yl)-6-[(2Z,4Z)-hexa-2,4-dienyl]isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(3-methylphenyl)isoquinolin-8-amine;3-[8-[1-(3-methylimidazole-4-carbonyl)azetidin-3-yl]oxyisoquinolin-6-yl]benzonitrile;3-[8-[(1-morpholin-4-ylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile;3-[8-[(1-pyridin-2-ylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile (PubChem CID 161174456) has the molecular formula C120H125N21O11S4 and a molecular weight of 2165.72 g/mol. Its IUPAC name is N-(1-ethylsulfonylpiperidin-4-yl)-6-[(2Z,4Z)-hexa-2,4-dienyl]isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(3-methylphenyl)isoquinolin-8-amine;3-[8-[1-(3-methylimidazole-4-carbonyl)azetidin-3-yl]oxyisoquinolin-6-yl]benzonitrile;3-[8-[(1-morpholin-4-ylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile;3-[8-[(1-pyridin-2-ylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile.

Molecular Properties

• Compound Name: N-(1-ethylsulfonylpiperidin-4-yl)-6-[(2Z,4Z)-hexa-2,4-dienyl]isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(3-methylphenyl)isoquinolin-8-amine;3-[8-[1-(3-methylimidazole-4-carbonyl)azetidin-3-yl]oxyisoquinolin-6-yl]benzonitrile;3-[8-[(1-morpholin-4-ylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile;3-[8-[(1-pyridin-2-ylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile
• PubChem CID: 161174456
• Molecular Formula: C120H125N21O11S4
• Molecular Weight: 2165.72 g/mol
• Exact Mass: 2163.88
• IUPAC Name: N-(1-ethylsulfonylpiperidin-4-yl)-6-[(2Z,4Z)-hexa-2,4-dienyl]isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(3-methylphenyl)isoquinolin-8-amine;3-[8-[1-(3-methylimidazole-4-carbonyl)azetidin-3-yl]oxyisoquinolin-6-yl]benzonitrile;3-[8-[(1-morpholin-4-ylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile;3-[8-[(1-pyridin-2-ylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile
• SMILES: C/C=C\C=C/Cc1cc(NC2CCN(S(=O)(=O)CC)CC2)c2cnccc2c1.CCS(=O)(=O)N1CCC(Nc2cc(-c3cccc(C)c3)cc3ccncc23)CC1.Cn1cncc1C(=O)N1CC(Oc2cc(-c3cccc(C#N)c3)cc3ccncc23)C1.N#Cc1cccc(-c2cc(NC3CCN(S(=O)(=O)N4CCOCC4)CC3)c3cnccc3c2)c1.N#Cc1cccc(-c2cc(NC3CCN(S(=O)(=O)c4ccccn4)CC3)c3cnccc3c2)c1
• InChI: InChI=1S/C26H23N5O2S.C25H27N5O3S.C24H19N5O2.C23H27N3O2S.C22H29N3O2S/c27-17-19-4-3-5-20(14-19)22-15-21-7-11-28-18-24(21)25(16-22)30-23-8-12-31(13-9-23)34(32,33)26-6-1-2-10-29-26;26-17-19-2-1-3-20(14-19)22-15-21-4-7-27-18-24(21)25(16-22)28-23-5-8-29(9-6-23)34(31,32)30-10-12-33-13-11-30;1-28-15-27-12-22(28)24(30)29-13-20(14-29)31-23-9-19(8-18-5-6-26-11-21(18)23)17-4-2-3-16(7-17)10-25;1-3-29(27,28)26-11-8-21(9-12-26)25-23-15-20(18-6-4-5-17(2)13-18)14-19-7-10-24-16-22(19)23;1-3-5-6-7-8-18-15-19-9-12-23-17-21(19)22(16-18)24-20-10-13-25(14-11-20)28(26,27)4-2/h1-7,10-11,14-16,18,23,30H,8-9,12-13H2;1-4,7,14-16,18,23,28H,5-6,8-13H2;2-9,11-12,15,20H,13-14H2,1H3;4-7,10,13-16,21,25H,3,8-9,11-12H2,1-2H3;3,5-7,9,12,15-17,20,24H,4,8,10-11,13-14H2,1-2H3/b;;;;5-3-,7-6-
• InChIKey: URPRBEHJQDVSBF-SYECOVGISA-N
• XLogP: 19.64
• TPSA: 406.18 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 26
• Rotatable Bonds: 26
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2165.72
LogP ≤ 5	19.64
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylsulfonylpiperidin-4-yl)-6-[(2Z,4Z)-hexa-2,4-dienyl]isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(3-methylphenyl)isoquinolin-8-amine;3-[8-[1-(3-methylimidazole-4-carbonyl)azetidin-3-yl]oxyisoquinolin-6-yl]benzonitrile;3-[8-[(1-morpholin-4-ylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile;3-[8-[(1-pyridin-2-ylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile?

The IUPAC name of N-(1-ethylsulfonylpiperidin-4-yl)-6-[(2Z,4Z)-hexa-2,4-dienyl]isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(3-methylphenyl)isoquinolin-8-amine;3-[8-[1-(3-methylimidazole-4-carbonyl)azetidin-3-yl]oxyisoquinolin-6-yl]benzonitrile;3-[8-[(1-morpholin-4-ylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile;3-[8-[(1-pyridin-2-ylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile (CID 161174456) is N-(1-ethylsulfonylpiperidin-4-yl)-6-[(2Z,4Z)-hexa-2,4-dienyl]isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(3-methylphenyl)isoquinolin-8-amine;3-[8-[1-(3-methylimidazole-4-carbonyl)azetidin-3-yl]oxyisoquinolin-6-yl]benzonitrile;3-[8-[(1-morpholin-4-ylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile;3-[8-[(1-pyridin-2-ylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile.

What is the SMILES notation for N-(1-ethylsulfonylpiperidin-4-yl)-6-[(2Z,4Z)-hexa-2,4-dienyl]isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(3-methylphenyl)isoquinolin-8-amine;3-[8-[1-(3-methylimidazole-4-carbonyl)azetidin-3-yl]oxyisoquinolin-6-yl]benzonitrile;3-[8-[(1-morpholin-4-ylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile;3-[8-[(1-pyridin-2-ylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile?

The canonical SMILES for N-(1-ethylsulfonylpiperidin-4-yl)-6-[(2Z,4Z)-hexa-2,4-dienyl]isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(3-methylphenyl)isoquinolin-8-amine;3-[8-[1-(3-methylimidazole-4-carbonyl)azetidin-3-yl]oxyisoquinolin-6-yl]benzonitrile;3-[8-[(1-morpholin-4-ylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile;3-[8-[(1-pyridin-2-ylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile is C/C=C\C=C/Cc1cc(NC2CCN(S(=O)(=O)CC)CC2)c2cnccc2c1.CCS(=O)(=O)N1CCC(Nc2cc(-c3cccc(C)c3)cc3ccncc23)CC1.Cn1cncc1C(=O)N1CC(Oc2cc(-c3cccc(C#N)c3)cc3ccncc23)C1.N#Cc1cccc(-c2cc(NC3CCN(S(=O)(=O)N4CCOCC4)CC3)c3cnccc3c2)c1.N#Cc1cccc(-c2cc(NC3CCN(S(=O)(=O)c4ccccn4)CC3)c3cnccc3c2)c1.

What is the InChIKey of N-(1-ethylsulfonylpiperidin-4-yl)-6-[(2Z,4Z)-hexa-2,4-dienyl]isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(3-methylphenyl)isoquinolin-8-amine;3-[8-[1-(3-methylimidazole-4-carbonyl)azetidin-3-yl]oxyisoquinolin-6-yl]benzonitrile;3-[8-[(1-morpholin-4-ylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile;3-[8-[(1-pyridin-2-ylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile?

The InChIKey is URPRBEHJQDVSBF-SYECOVGISA-N. The full InChI is InChI=1S/C26H23N5O2S.C25H27N5O3S.C24H19N5O2.C23H27N3O2S.C22H29N3O2S/c27-17-19-4-3-5-20(14-19)22-15-21-7-11-28-18-24(21)25(16-22)30-23-8-12-31(13-9-23)34(32,33)26-6-1-2-10-29-26;26-17-19-2-1-3-20(14-19)22-15-21-4-7-27-18-24(21)25(16-22)28-23-5-8-29(9-6-23)34(31,32)30-10-12-33-13-11-30;1-28-15-27-12-22(28)24(30)29-13-20(14-29)31-23-9-19(8-18-5-6-26-11-21(18)23)17-4-2-3-16(7-17)10-25;1-3-29(27,28)26-11-8-21(9-12-26)25-23-15-20(18-6-4-5-17(2)13-18)14-19-7-10-24-16-22(19)23;1-3-5-6-7-8-18-15-19-9-12-23-17-21(19)22(16-18)24-20-10-13-25(14-11-20)28(26,27)4-2/h1-7,10-11,14-16,18,23,30H,8-9,12-13H2;1-4,7,14-16,18,23,28H,5-6,8-13H2;2-9,11-12,15,20H,13-14H2,1H3;4-7,10,13-16,21,25H,3,8-9,11-12H2,1-2H3;3,5-7,9,12,15-17,20,24H,4,8,10-11,13-14H2,1-2H3/b;;;;5-3-,7-6-.

What are the key properties of N-(1-ethylsulfonylpiperidin-4-yl)-6-[(2Z,4Z)-hexa-2,4-dienyl]isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(3-methylphenyl)isoquinolin-8-amine;3-[8-[1-(3-methylimidazole-4-carbonyl)azetidin-3-yl]oxyisoquinolin-6-yl]benzonitrile;3-[8-[(1-morpholin-4-ylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile;3-[8-[(1-pyridin-2-ylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile?

N-(1-ethylsulfonylpiperidin-4-yl)-6-[(2Z,4Z)-hexa-2,4-dienyl]isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(3-methylphenyl)isoquinolin-8-amine;3-[8-[1-(3-methylimidazole-4-carbonyl)azetidin-3-yl]oxyisoquinolin-6-yl]benzonitrile;3-[8-[(1-morpholin-4-ylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile;3-[8-[(1-pyridin-2-ylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile has a molecular weight of 2165.72 g/mol, XLogP of 19.64, 26 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-ethylsulfonylpiperidin-4-yl)-6-[(2Z,4Z)-hexa-2,4-dienyl]isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(3-methylphenyl)isoquinolin-8-amine;3-[8-[1-(3-methylimidazole-4-carbonyl)azetidin-3-yl]oxyisoquinolin-6-yl]benzonitrile;3-[8-[(1-morpholin-4-ylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile;3-[8-[(1-pyridin-2-ylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile is sourced from PubChem (CID 161174456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).