2-(3-aminophenyl)-1-ethyl-5-(3-methoxyphenyl)indole-3-carbonitrile;2-(4-aminophenyl)-1-ethyl-5-(3-methoxyphenyl)indole-3-carbonitrile;benzyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamate;4-[3-cyano-1-ethyl-5-(3-methoxyphenyl)indol-2-yl]benzenesulfonamide;4-[3-cyano-1-ethyl-5-(3-methoxyphenyl)indol-2-yl]-N-methylbenzenesulfonamide;1-ethyl-6-methoxy-2-[4-[(2-phenylquinazolin-4-yl)amino]phenyl]indole-3-carbonitrile

C155H131F3N20O11S2 — CID 158514639

About 2-(3-aminophenyl)-1-ethyl-5-(3-methoxyphenyl)indole-3-carbonitrile;2-(4-aminophenyl)-1-ethyl-5-(3-methoxyphenyl)indole-3-carbonitrile;benzyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamate;4-[3-cyano-1-ethyl-5-(3-methoxyphenyl)indol-2-yl]benzenesulfonamide;4-[3-cyano-1-ethyl-5-(3-methoxyphenyl)indol-2-yl]-N-methylbenzenesulfonamide;1-ethyl-6-methoxy-2-[4-[(2-phenylquinazolin-4-yl)amino]phenyl]indole-3-carbonitrile

2-(3-aminophenyl)-1-ethyl-5-(3-methoxyphenyl)indole-3-carbonitrile;2-(4-aminophenyl)-1-ethyl-5-(3-methoxyphenyl)indole-3-carbonitrile;benzyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamate;4-[3-cyano-1-ethyl-5-(3-methoxyphenyl)indol-2-yl]benzenesulfonamide;4-[3-cyano-1-ethyl-5-(3-methoxyphenyl)indol-2-yl]-N-methylbenzenesulfonamide;1-ethyl-6-methoxy-2-[4-[(2-phenylquinazolin-4-yl)amino]phenyl]indole-3-carbonitrile (PubChem CID 158514639) has the molecular formula C155H131F3N20O11S2 and a molecular weight of 2571.01 g/mol. Its IUPAC name is 2-(3-aminophenyl)-1-ethyl-5-(3-methoxyphenyl)indole-3-carbonitrile;2-(4-aminophenyl)-1-ethyl-5-(3-methoxyphenyl)indole-3-carbonitrile;benzyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamate;4-[3-cyano-1-ethyl-5-(3-methoxyphenyl)indol-2-yl]benzenesulfonamide;4-[3-cyano-1-ethyl-5-(3-methoxyphenyl)indol-2-yl]-N-methylbenzenesulfonamide;1-ethyl-6-methoxy-2-[4-[(2-phenylquinazolin-4-yl)amino]phenyl]indole-3-carbonitrile.

Molecular Properties

• Compound Name: 2-(3-aminophenyl)-1-ethyl-5-(3-methoxyphenyl)indole-3-carbonitrile;2-(4-aminophenyl)-1-ethyl-5-(3-methoxyphenyl)indole-3-carbonitrile;benzyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamate;4-[3-cyano-1-ethyl-5-(3-methoxyphenyl)indol-2-yl]benzenesulfonamide;4-[3-cyano-1-ethyl-5-(3-methoxyphenyl)indol-2-yl]-N-methylbenzenesulfonamide;1-ethyl-6-methoxy-2-[4-[(2-phenylquinazolin-4-yl)amino]phenyl]indole-3-carbonitrile
• PubChem CID: 158514639
• Molecular Formula: C155H131F3N20O11S2
• Molecular Weight: 2571.01 g/mol
• Exact Mass: 2568.97
• IUPAC Name: 2-(3-aminophenyl)-1-ethyl-5-(3-methoxyphenyl)indole-3-carbonitrile;2-(4-aminophenyl)-1-ethyl-5-(3-methoxyphenyl)indole-3-carbonitrile;benzyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamate;4-[3-cyano-1-ethyl-5-(3-methoxyphenyl)indol-2-yl]benzenesulfonamide;4-[3-cyano-1-ethyl-5-(3-methoxyphenyl)indol-2-yl]-N-methylbenzenesulfonamide;1-ethyl-6-methoxy-2-[4-[(2-phenylquinazolin-4-yl)amino]phenyl]indole-3-carbonitrile
• SMILES: CCn1c(-c2ccc(N)cc2)c(C#N)c2cc(-c3cccc(OC)c3)ccc21.CCn1c(-c2ccc(NC(=O)OCc3ccccc3)cc2)c(C#N)c2ccc(C(F)(F)F)cc21.CCn1c(-c2ccc(Nc3nc(-c4ccccc4)nc4ccccc34)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(S(=O)(=O)NC)cc2)c(C#N)c2cc(-c3cccc(OC)c3)ccc21.CCn1c(-c2ccc(S(N)(=O)=O)cc2)c(C#N)c2cc(-c3cccc(OC)c3)ccc21.CCn1c(-c2cccc(N)c2)c(C#N)c2cc(-c3cccc(OC)c3)ccc21
• InChI: InChI=1S/C32H25N5O.C26H20F3N3O2.C25H23N3O3S.C24H21N3O3S.2C24H21N3O/c1-3-37-29-19-24(38-2)17-18-25(29)27(20-33)30(37)21-13-15-23(16-14-21)34-32-26-11-7-8-12-28(26)35-31(36-32)22-9-5-4-6-10-22;1-2-32-23-14-19(26(27,28)29)10-13-21(23)22(15-30)24(32)18-8-11-20(12-9-18)31-25(33)34-16-17-6-4-3-5-7-17;1-4-28-24-13-10-19(18-6-5-7-20(14-18)31-3)15-22(24)23(16-26)25(28)17-8-11-21(12-9-17)32(29,30)27-2;1-3-27-23-12-9-18(17-5-4-6-19(13-17)30-2)14-21(23)22(15-25)24(27)16-7-10-20(11-8-16)31(26,28)29;1-3-27-23-11-10-17(16-6-5-9-20(13-16)28-2)14-21(23)22(15-25)24(27)18-7-4-8-19(26)12-18;1-3-27-23-12-9-18(17-5-4-6-20(13-17)28-2)14-21(23)22(15-25)24(27)16-7-10-19(26)11-8-16/h4-19H,3H2,1-2H3,(H,34,35,36);3-14H,2,16H2,1H3,(H,31,33);5-15,27H,4H2,1-3H3;4-14H,3H2,1-2H3,(H2,26,28,29);2*4-14H,3,26H2,1-2H3
• InChIKey: HLMCRUWXAVABMC-UHFFFAOYSA-N
• XLogP: 34.75
• TPSA: 452.98 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 28
• Rotatable Bonds: 30
• Heavy Atoms: 191
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2571.01
LogP ≤ 5	34.75
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-1-ethyl-5-(3-methoxyphenyl)indole-3-carbonitrile;2-(4-aminophenyl)-1-ethyl-5-(3-methoxyphenyl)indole-3-carbonitrile;benzyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamate;4-[3-cyano-1-ethyl-5-(3-methoxyphenyl)indol-2-yl]benzenesulfonamide;4-[3-cyano-1-ethyl-5-(3-methoxyphenyl)indol-2-yl]-N-methylbenzenesulfonamide;1-ethyl-6-methoxy-2-[4-[(2-phenylquinazolin-4-yl)amino]phenyl]indole-3-carbonitrile?

The IUPAC name of 2-(3-aminophenyl)-1-ethyl-5-(3-methoxyphenyl)indole-3-carbonitrile;2-(4-aminophenyl)-1-ethyl-5-(3-methoxyphenyl)indole-3-carbonitrile;benzyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamate;4-[3-cyano-1-ethyl-5-(3-methoxyphenyl)indol-2-yl]benzenesulfonamide;4-[3-cyano-1-ethyl-5-(3-methoxyphenyl)indol-2-yl]-N-methylbenzenesulfonamide;1-ethyl-6-methoxy-2-[4-[(2-phenylquinazolin-4-yl)amino]phenyl]indole-3-carbonitrile (CID 158514639) is 2-(3-aminophenyl)-1-ethyl-5-(3-methoxyphenyl)indole-3-carbonitrile;2-(4-aminophenyl)-1-ethyl-5-(3-methoxyphenyl)indole-3-carbonitrile;benzyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamate;4-[3-cyano-1-ethyl-5-(3-methoxyphenyl)indol-2-yl]benzenesulfonamide;4-[3-cyano-1-ethyl-5-(3-methoxyphenyl)indol-2-yl]-N-methylbenzenesulfonamide;1-ethyl-6-methoxy-2-[4-[(2-phenylquinazolin-4-yl)amino]phenyl]indole-3-carbonitrile.

What is the SMILES notation for 2-(3-aminophenyl)-1-ethyl-5-(3-methoxyphenyl)indole-3-carbonitrile;2-(4-aminophenyl)-1-ethyl-5-(3-methoxyphenyl)indole-3-carbonitrile;benzyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamate;4-[3-cyano-1-ethyl-5-(3-methoxyphenyl)indol-2-yl]benzenesulfonamide;4-[3-cyano-1-ethyl-5-(3-methoxyphenyl)indol-2-yl]-N-methylbenzenesulfonamide;1-ethyl-6-methoxy-2-[4-[(2-phenylquinazolin-4-yl)amino]phenyl]indole-3-carbonitrile?

The canonical SMILES for 2-(3-aminophenyl)-1-ethyl-5-(3-methoxyphenyl)indole-3-carbonitrile;2-(4-aminophenyl)-1-ethyl-5-(3-methoxyphenyl)indole-3-carbonitrile;benzyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamate;4-[3-cyano-1-ethyl-5-(3-methoxyphenyl)indol-2-yl]benzenesulfonamide;4-[3-cyano-1-ethyl-5-(3-methoxyphenyl)indol-2-yl]-N-methylbenzenesulfonamide;1-ethyl-6-methoxy-2-[4-[(2-phenylquinazolin-4-yl)amino]phenyl]indole-3-carbonitrile is CCn1c(-c2ccc(N)cc2)c(C#N)c2cc(-c3cccc(OC)c3)ccc21.CCn1c(-c2ccc(NC(=O)OCc3ccccc3)cc2)c(C#N)c2ccc(C(F)(F)F)cc21.CCn1c(-c2ccc(Nc3nc(-c4ccccc4)nc4ccccc34)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(S(=O)(=O)NC)cc2)c(C#N)c2cc(-c3cccc(OC)c3)ccc21.CCn1c(-c2ccc(S(N)(=O)=O)cc2)c(C#N)c2cc(-c3cccc(OC)c3)ccc21.CCn1c(-c2cccc(N)c2)c(C#N)c2cc(-c3cccc(OC)c3)ccc21.

What is the InChIKey of 2-(3-aminophenyl)-1-ethyl-5-(3-methoxyphenyl)indole-3-carbonitrile;2-(4-aminophenyl)-1-ethyl-5-(3-methoxyphenyl)indole-3-carbonitrile;benzyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamate;4-[3-cyano-1-ethyl-5-(3-methoxyphenyl)indol-2-yl]benzenesulfonamide;4-[3-cyano-1-ethyl-5-(3-methoxyphenyl)indol-2-yl]-N-methylbenzenesulfonamide;1-ethyl-6-methoxy-2-[4-[(2-phenylquinazolin-4-yl)amino]phenyl]indole-3-carbonitrile?

The InChIKey is HLMCRUWXAVABMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25N5O.C26H20F3N3O2.C25H23N3O3S.C24H21N3O3S.2C24H21N3O/c1-3-37-29-19-24(38-2)17-18-25(29)27(20-33)30(37)21-13-15-23(16-14-21)34-32-26-11-7-8-12-28(26)35-31(36-32)22-9-5-4-6-10-22;1-2-32-23-14-19(26(27,28)29)10-13-21(23)22(15-30)24(32)18-8-11-20(12-9-18)31-25(33)34-16-17-6-4-3-5-7-17;1-4-28-24-13-10-19(18-6-5-7-20(14-18)31-3)15-22(24)23(16-26)25(28)17-8-11-21(12-9-17)32(29,30)27-2;1-3-27-23-12-9-18(17-5-4-6-19(13-17)30-2)14-21(23)22(15-25)24(27)16-7-10-20(11-8-16)31(26,28)29;1-3-27-23-11-10-17(16-6-5-9-20(13-16)28-2)14-21(23)22(15-25)24(27)18-7-4-8-19(26)12-18;1-3-27-23-12-9-18(17-5-4-6-20(13-17)28-2)14-21(23)22(15-25)24(27)16-7-10-19(26)11-8-16/h4-19H,3H2,1-2H3,(H,34,35,36);3-14H,2,16H2,1H3,(H,31,33);5-15,27H,4H2,1-3H3;4-14H,3H2,1-2H3,(H2,26,28,29);2*4-14H,3,26H2,1-2H3.

What are the key properties of 2-(3-aminophenyl)-1-ethyl-5-(3-methoxyphenyl)indole-3-carbonitrile;2-(4-aminophenyl)-1-ethyl-5-(3-methoxyphenyl)indole-3-carbonitrile;benzyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamate;4-[3-cyano-1-ethyl-5-(3-methoxyphenyl)indol-2-yl]benzenesulfonamide;4-[3-cyano-1-ethyl-5-(3-methoxyphenyl)indol-2-yl]-N-methylbenzenesulfonamide;1-ethyl-6-methoxy-2-[4-[(2-phenylquinazolin-4-yl)amino]phenyl]indole-3-carbonitrile?

2-(3-aminophenyl)-1-ethyl-5-(3-methoxyphenyl)indole-3-carbonitrile;2-(4-aminophenyl)-1-ethyl-5-(3-methoxyphenyl)indole-3-carbonitrile;benzyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamate;4-[3-cyano-1-ethyl-5-(3-methoxyphenyl)indol-2-yl]benzenesulfonamide;4-[3-cyano-1-ethyl-5-(3-methoxyphenyl)indol-2-yl]-N-methylbenzenesulfonamide;1-ethyl-6-methoxy-2-[4-[(2-phenylquinazolin-4-yl)amino]phenyl]indole-3-carbonitrile has a molecular weight of 2571.01 g/mol, XLogP of 34.75, 30 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-aminophenyl)-1-ethyl-5-(3-methoxyphenyl)indole-3-carbonitrile;2-(4-aminophenyl)-1-ethyl-5-(3-methoxyphenyl)indole-3-carbonitrile;benzyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamate;4-[3-cyano-1-ethyl-5-(3-methoxyphenyl)indol-2-yl]benzenesulfonamide;4-[3-cyano-1-ethyl-5-(3-methoxyphenyl)indol-2-yl]-N-methylbenzenesulfonamide;1-ethyl-6-methoxy-2-[4-[(2-phenylquinazolin-4-yl)amino]phenyl]indole-3-carbonitrile is sourced from PubChem (CID 158514639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).