N-[3-[[6-(3-cyanophenyl)isoquinolin-8-yl]amino]propyl]acetamide;N-[3-[[6-(3-cyanophenyl)isoquinolin-8-yl]amino]propyl]methanesulfonamide;3-[8-[[1-(morpholine-2-carbonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;3-[8-(1-propan-2-ylsulfonylpiperidin-4-yl)oxyisoquinolin-6-yl]benzonitrile;3-[8-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile

C117H115N21O10S3 — CID 159635048

About N-[3-[[6-(3-cyanophenyl)isoquinolin-8-yl]amino]propyl]acetamide;N-[3-[[6-(3-cyanophenyl)isoquinolin-8-yl]amino]propyl]methanesulfonamide;3-[8-[[1-(morpholine-2-carbonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;3-[8-(1-propan-2-ylsulfonylpiperidin-4-yl)oxyisoquinolin-6-yl]benzonitrile;3-[8-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile

N-[3-[[6-(3-cyanophenyl)isoquinolin-8-yl]amino]propyl]acetamide;N-[3-[[6-(3-cyanophenyl)isoquinolin-8-yl]amino]propyl]methanesulfonamide;3-[8-[[1-(morpholine-2-carbonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;3-[8-(1-propan-2-ylsulfonylpiperidin-4-yl)oxyisoquinolin-6-yl]benzonitrile;3-[8-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile (PubChem CID 159635048) has the molecular formula C117H115N21O10S3 and a molecular weight of 2071.54 g/mol. Its IUPAC name is N-[3-[[6-(3-cyanophenyl)isoquinolin-8-yl]amino]propyl]acetamide;N-[3-[[6-(3-cyanophenyl)isoquinolin-8-yl]amino]propyl]methanesulfonamide;3-[8-[[1-(morpholine-2-carbonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;3-[8-(1-propan-2-ylsulfonylpiperidin-4-yl)oxyisoquinolin-6-yl]benzonitrile;3-[8-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile.

Molecular Properties

• Compound Name: N-[3-[[6-(3-cyanophenyl)isoquinolin-8-yl]amino]propyl]acetamide;N-[3-[[6-(3-cyanophenyl)isoquinolin-8-yl]amino]propyl]methanesulfonamide;3-[8-[[1-(morpholine-2-carbonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;3-[8-(1-propan-2-ylsulfonylpiperidin-4-yl)oxyisoquinolin-6-yl]benzonitrile;3-[8-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile
• PubChem CID: 159635048
• Molecular Formula: C117H115N21O10S3
• Molecular Weight: 2071.54 g/mol
• Exact Mass: 2069.83
• IUPAC Name: N-[3-[[6-(3-cyanophenyl)isoquinolin-8-yl]amino]propyl]acetamide;N-[3-[[6-(3-cyanophenyl)isoquinolin-8-yl]amino]propyl]methanesulfonamide;3-[8-[[1-(morpholine-2-carbonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;3-[8-(1-propan-2-ylsulfonylpiperidin-4-yl)oxyisoquinolin-6-yl]benzonitrile;3-[8-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile
• SMILES: CC(=O)NCCCNc1cc(-c2cccc(C#N)c2)cc2ccncc12.CC(C)S(=O)(=O)N1CCC(Oc2cc(-c3cccc(C#N)c3)cc3ccncc23)CC1.CS(=O)(=O)NCCCNc1cc(-c2cccc(C#N)c2)cc2ccncc12.N#Cc1cccc(-c2cc(NC3CCN(C(=O)C4CNCCO4)CC3)c3cnccc3c2)c1.N#Cc1cccc(-c2cc(NC3CCN(S(=O)(=O)c4cccnc4)CC3)c3cnccc3c2)c1
• InChI: InChI=1S/C26H23N5O2S.C26H27N5O2.C24H25N3O3S.C21H20N4O.C20H20N4O2S/c27-16-19-3-1-4-20(13-19)22-14-21-6-10-29-18-25(21)26(15-22)30-23-7-11-31(12-8-23)34(32,33)24-5-2-9-28-17-24;27-15-18-2-1-3-19(12-18)21-13-20-4-7-28-16-23(20)24(14-21)30-22-5-9-31(10-6-22)26(32)25-17-29-8-11-33-25;1-17(2)31(28,29)27-10-7-22(8-11-27)30-24-14-21(13-20-6-9-26-16-23(20)24)19-5-3-4-18(12-19)15-25;1-15(26)24-7-3-8-25-21-12-19(11-18-6-9-23-14-20(18)21)17-5-2-4-16(10-17)13-22;1-27(25,26)24-8-3-7-23-20-12-18(11-17-6-9-22-14-19(17)20)16-5-2-4-15(10-16)13-21/h1-6,9-10,13-15,17-18,23,30H,7-8,11-12H2;1-4,7,12-14,16,22,25,29-30H,5-6,8-11,17H2;3-6,9,12-14,16-17,22H,7-8,10-11H2,1-2H3;2,4-6,9-12,14,25H,3,7-8H2,1H3,(H,24,26);2,4-6,9-12,14,23-24H,3,7-8H2,1H3
• InChIKey: MPQAIXDMPLPWPP-UHFFFAOYSA-N
• XLogP: 18.79
• TPSA: 445.24 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 26
• Rotatable Bonds: 27
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2071.54
LogP ≤ 5	18.79
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-[[6-(3-cyanophenyl)isoquinolin-8-yl]amino]propyl]acetamide;N-[3-[[6-(3-cyanophenyl)isoquinolin-8-yl]amino]propyl]methanesulfonamide;3-[8-[[1-(morpholine-2-carbonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;3-[8-(1-propan-2-ylsulfonylpiperidin-4-yl)oxyisoquinolin-6-yl]benzonitrile;3-[8-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile?

The IUPAC name of N-[3-[[6-(3-cyanophenyl)isoquinolin-8-yl]amino]propyl]acetamide;N-[3-[[6-(3-cyanophenyl)isoquinolin-8-yl]amino]propyl]methanesulfonamide;3-[8-[[1-(morpholine-2-carbonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;3-[8-(1-propan-2-ylsulfonylpiperidin-4-yl)oxyisoquinolin-6-yl]benzonitrile;3-[8-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile (CID 159635048) is N-[3-[[6-(3-cyanophenyl)isoquinolin-8-yl]amino]propyl]acetamide;N-[3-[[6-(3-cyanophenyl)isoquinolin-8-yl]amino]propyl]methanesulfonamide;3-[8-[[1-(morpholine-2-carbonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;3-[8-(1-propan-2-ylsulfonylpiperidin-4-yl)oxyisoquinolin-6-yl]benzonitrile;3-[8-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile.

What is the SMILES notation for N-[3-[[6-(3-cyanophenyl)isoquinolin-8-yl]amino]propyl]acetamide;N-[3-[[6-(3-cyanophenyl)isoquinolin-8-yl]amino]propyl]methanesulfonamide;3-[8-[[1-(morpholine-2-carbonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;3-[8-(1-propan-2-ylsulfonylpiperidin-4-yl)oxyisoquinolin-6-yl]benzonitrile;3-[8-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile?

The canonical SMILES for N-[3-[[6-(3-cyanophenyl)isoquinolin-8-yl]amino]propyl]acetamide;N-[3-[[6-(3-cyanophenyl)isoquinolin-8-yl]amino]propyl]methanesulfonamide;3-[8-[[1-(morpholine-2-carbonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;3-[8-(1-propan-2-ylsulfonylpiperidin-4-yl)oxyisoquinolin-6-yl]benzonitrile;3-[8-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile is CC(=O)NCCCNc1cc(-c2cccc(C#N)c2)cc2ccncc12.CC(C)S(=O)(=O)N1CCC(Oc2cc(-c3cccc(C#N)c3)cc3ccncc23)CC1.CS(=O)(=O)NCCCNc1cc(-c2cccc(C#N)c2)cc2ccncc12.N#Cc1cccc(-c2cc(NC3CCN(C(=O)C4CNCCO4)CC3)c3cnccc3c2)c1.N#Cc1cccc(-c2cc(NC3CCN(S(=O)(=O)c4cccnc4)CC3)c3cnccc3c2)c1.

What is the InChIKey of N-[3-[[6-(3-cyanophenyl)isoquinolin-8-yl]amino]propyl]acetamide;N-[3-[[6-(3-cyanophenyl)isoquinolin-8-yl]amino]propyl]methanesulfonamide;3-[8-[[1-(morpholine-2-carbonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;3-[8-(1-propan-2-ylsulfonylpiperidin-4-yl)oxyisoquinolin-6-yl]benzonitrile;3-[8-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile?

The InChIKey is MPQAIXDMPLPWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O2S.C26H27N5O2.C24H25N3O3S.C21H20N4O.C20H20N4O2S/c27-16-19-3-1-4-20(13-19)22-14-21-6-10-29-18-25(21)26(15-22)30-23-7-11-31(12-8-23)34(32,33)24-5-2-9-28-17-24;27-15-18-2-1-3-19(12-18)21-13-20-4-7-28-16-23(20)24(14-21)30-22-5-9-31(10-6-22)26(32)25-17-29-8-11-33-25;1-17(2)31(28,29)27-10-7-22(8-11-27)30-24-14-21(13-20-6-9-26-16-23(20)24)19-5-3-4-18(12-19)15-25;1-15(26)24-7-3-8-25-21-12-19(11-18-6-9-23-14-20(18)21)17-5-2-4-16(10-17)13-22;1-27(25,26)24-8-3-7-23-20-12-18(11-17-6-9-22-14-19(17)20)16-5-2-4-15(10-16)13-21/h1-6,9-10,13-15,17-18,23,30H,7-8,11-12H2;1-4,7,12-14,16,22,25,29-30H,5-6,8-11,17H2;3-6,9,12-14,16-17,22H,7-8,10-11H2,1-2H3;2,4-6,9-12,14,25H,3,7-8H2,1H3,(H,24,26);2,4-6,9-12,14,23-24H,3,7-8H2,1H3.

What are the key properties of N-[3-[[6-(3-cyanophenyl)isoquinolin-8-yl]amino]propyl]acetamide;N-[3-[[6-(3-cyanophenyl)isoquinolin-8-yl]amino]propyl]methanesulfonamide;3-[8-[[1-(morpholine-2-carbonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;3-[8-(1-propan-2-ylsulfonylpiperidin-4-yl)oxyisoquinolin-6-yl]benzonitrile;3-[8-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile?

N-[3-[[6-(3-cyanophenyl)isoquinolin-8-yl]amino]propyl]acetamide;N-[3-[[6-(3-cyanophenyl)isoquinolin-8-yl]amino]propyl]methanesulfonamide;3-[8-[[1-(morpholine-2-carbonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;3-[8-(1-propan-2-ylsulfonylpiperidin-4-yl)oxyisoquinolin-6-yl]benzonitrile;3-[8-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile has a molecular weight of 2071.54 g/mol, XLogP of 18.79, 27 rotatable bonds, 7 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[[6-(3-cyanophenyl)isoquinolin-8-yl]amino]propyl]acetamide;N-[3-[[6-(3-cyanophenyl)isoquinolin-8-yl]amino]propyl]methanesulfonamide;3-[8-[[1-(morpholine-2-carbonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;3-[8-(1-propan-2-ylsulfonylpiperidin-4-yl)oxyisoquinolin-6-yl]benzonitrile;3-[8-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile is sourced from PubChem (CID 159635048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).