N-(1-ethylsulfonylpiperidin-4-yl)-6-(3-methylphenyl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-phenylisoquinolin-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

C120H121N21O11S4 — CID 160876942

IUPACN-(1-ethylsulfonylpiperidin-4-yl)-6-(3-methylphenyl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-phenylisoquinolin-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
SMILESCCS(=O)(=O)N1CCC(Nc2cc(-c3cccc(C)c3)cc3ccncc23)CC1.CCS(=O)(=O)N1CCC(Nc2cc(-c3ccccc3)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
InChIInChI=1S/C26H23N5O2S.C25H27N5O3S.C24H19N5O2.C23H27N3O2S.C22H25N3O2S/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;1-2-28(26,27)25-12-9-20(10-13-25)24-22-15-19(17-6-4-3-5-7-17)14-18-8-11-23-16-21(18)22/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;3-8,11,14-16,20,24H,2,9-10,12-13H2,1H3
InChIKeySMNCIWUVCCXRKZ-UHFFFAOYSA-N
MW2161.69 g/mol
LogP19.63
Rot. Bonds24

About N-(1-ethylsulfonylpiperidin-4-yl)-6-(3-methylphenyl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-phenylisoquinolin-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-(3-methylphenyl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-phenylisoquinolin-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 160876942) has the molecular formula C120H121N21O11S4 and a molecular weight of 2161.69 g/mol. Its IUPAC name is N-(1-ethylsulfonylpiperidin-4-yl)-6-(3-methylphenyl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-phenylisoquinolin-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 NameN-(1-ethylsulfonylpiperidin-4-yl)-6-(3-methylphenyl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-phenylisoquinolin-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 CID160876942
Molecular FormulaC120H121N21O11S4
Molecular Weight2161.69 g/mol
Exact Mass2159.84
IUPAC NameN-(1-ethylsulfonylpiperidin-4-yl)-6-(3-methylphenyl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-phenylisoquinolin-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
SMILESCCS(=O)(=O)N1CCC(Nc2cc(-c3cccc(C)c3)cc3ccncc23)CC1.CCS(=O)(=O)N1CCC(Nc2cc(-c3ccccc3)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
InChIInChI=1S/C26H23N5O2S.C25H27N5O3S.C24H19N5O2.C23H27N3O2S.C22H25N3O2S/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;1-2-28(26,27)25-12-9-20(10-13-25)24-22-15-19(17-6-4-3-5-7-17)14-18-8-11-23-16-21(18)22/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;3-8,11,14-16,20,24H,2,9-10,12-13H2,1H3
InChIKeySMNCIWUVCCXRKZ-UHFFFAOYSA-N
XLogP19.63
TPSA406.18 Ų
H-Bond Donors4
H-Bond Acceptors26
Rotatable Bonds24
Heavy Atoms156
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002161.69
LogP ≤ 519.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1026

Analyze N-(1-ethylsulfonylpiperidin-4-yl)-6-(3-methylphenyl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-phenylisoquinolin-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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylsulfonylpiperidin-4-yl)-6-(3-methylphenyl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-phenylisoquinolin-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-(3-methylphenyl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-phenylisoquinolin-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 160876942) is N-(1-ethylsulfonylpiperidin-4-yl)-6-(3-methylphenyl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-phenylisoquinolin-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-(3-methylphenyl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-phenylisoquinolin-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-(3-methylphenyl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-phenylisoquinolin-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 CCS(=O)(=O)N1CCC(Nc2cc(-c3cccc(C)c3)cc3ccncc23)CC1.CCS(=O)(=O)N1CCC(Nc2cc(-c3ccccc3)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-(3-methylphenyl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-phenylisoquinolin-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 SMNCIWUVCCXRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O2S.C25H27N5O3S.C24H19N5O2.C23H27N3O2S.C22H25N3O2S/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;1-2-28(26,27)25-12-9-20(10-13-25)24-22-15-19(17-6-4-3-5-7-17)14-18-8-11-23-16-21(18)22/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;3-8,11,14-16,20,24H,2,9-10,12-13H2,1H3.
What are the key properties of N-(1-ethylsulfonylpiperidin-4-yl)-6-(3-methylphenyl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-phenylisoquinolin-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-(3-methylphenyl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-phenylisoquinolin-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 2161.69 g/mol, XLogP of 19.63, 24 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-(3-methylphenyl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-phenylisoquinolin-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 160876942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).