3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-(6-phenylnaphthalen-2-yl)indole-6-carboxylic acid;methyl 3-cyclohexyl-2-(6-hydroxynaphthalen-2-yl)-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxylate;methyl 3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-[6-(trifluoromethylsulfonyloxy)naphthalen-2-yl]indole-6-carboxylate

C102H103F3N6O16S — CID 158184456

IUPAC3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-(6-phenylnaphthalen-2-yl)indole-6-carboxylic acid;methyl 3-cyclohexyl-2-(6-hydroxynaphthalen-2-yl)-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxylate;methyl 3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-[6-(trifluoromethylsulfonyloxy)naphthalen-2-yl]indole-6-carboxylate
SMILESCOC(=O)c1ccc2c(C3CCCCC3)c(-c3ccc4cc(O)ccc4c3)n(CC(=O)N3CCOCC3)c2c1.COC(=O)c1ccc2c(C3CCCCC3)c(-c3ccc4cc(OS(=O)(=O)C(F)(F)F)ccc4c3)n(CC(=O)N3CCOCC3)c2c1.O=C(O)c1ccc2c(C3CCCCC3)c(-c3ccc4cc(-c5ccccc5)ccc4c3)n(CC(=O)N3CCOCC3)c2c1
InChIInChI=1S/C37H36N2O4.C33H33F3N2O7S.C32H34N2O5/c40-34(38-17-19-43-20-18-38)24-39-33-23-31(37(41)42)15-16-32(33)35(26-9-5-2-6-10-26)36(39)30-14-13-28-21-27(11-12-29(28)22-30)25-7-3-1-4-8-25;1-43-32(40)25-10-12-27-28(19-25)38(20-29(39)37-13-15-44-16-14-37)31(30(27)21-5-3-2-4-6-21)24-8-7-23-18-26(11-9-22(23)17-24)45-46(41,42)33(34,35)36;1-38-32(37)25-10-12-27-28(19-25)34(20-29(36)33-13-15-39-16-14-33)31(30(27)21-5-3-2-4-6-21)24-8-7-23-18-26(35)11-9-22(23)17-24/h1,3-4,7-8,11-16,21-23,26H,2,5-6,9-10,17-20,24H2,(H,41,42);7-12,17-19,21H,2-6,13-16,20H2,1H3;7-12,17-19,21,35H,2-6,13-16,20H2,1H3
InChIKeyFYZASVANRBLJHI-UHFFFAOYSA-N
MW1758.03 g/mol
LogP19.98
Rot. Bonds18

About 3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-(6-phenylnaphthalen-2-yl)indole-6-carboxylic acid;methyl 3-cyclohexyl-2-(6-hydroxynaphthalen-2-yl)-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxylate;methyl 3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-[6-(trifluoromethylsulfonyloxy)naphthalen-2-yl]indole-6-carboxylate

3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-(6-phenylnaphthalen-2-yl)indole-6-carboxylic acid;methyl 3-cyclohexyl-2-(6-hydroxynaphthalen-2-yl)-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxylate;methyl 3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-[6-(trifluoromethylsulfonyloxy)naphthalen-2-yl]indole-6-carboxylate (PubChem CID 158184456) has the molecular formula C102H103F3N6O16S and a molecular weight of 1758.03 g/mol. Its IUPAC name is 3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-(6-phenylnaphthalen-2-yl)indole-6-carboxylic acid;methyl 3-cyclohexyl-2-(6-hydroxynaphthalen-2-yl)-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxylate;methyl 3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-[6-(trifluoromethylsulfonyloxy)naphthalen-2-yl]indole-6-carboxylate.

Molecular Properties

Compound Name3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-(6-phenylnaphthalen-2-yl)indole-6-carboxylic acid;methyl 3-cyclohexyl-2-(6-hydroxynaphthalen-2-yl)-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxylate;methyl 3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-[6-(trifluoromethylsulfonyloxy)naphthalen-2-yl]indole-6-carboxylate
PubChem CID158184456
Molecular FormulaC102H103F3N6O16S
Molecular Weight1758.03 g/mol
Exact Mass1756.71
IUPAC Name3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-(6-phenylnaphthalen-2-yl)indole-6-carboxylic acid;methyl 3-cyclohexyl-2-(6-hydroxynaphthalen-2-yl)-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxylate;methyl 3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-[6-(trifluoromethylsulfonyloxy)naphthalen-2-yl]indole-6-carboxylate
SMILESCOC(=O)c1ccc2c(C3CCCCC3)c(-c3ccc4cc(O)ccc4c3)n(CC(=O)N3CCOCC3)c2c1.COC(=O)c1ccc2c(C3CCCCC3)c(-c3ccc4cc(OS(=O)(=O)C(F)(F)F)ccc4c3)n(CC(=O)N3CCOCC3)c2c1.O=C(O)c1ccc2c(C3CCCCC3)c(-c3ccc4cc(-c5ccccc5)ccc4c3)n(CC(=O)N3CCOCC3)c2c1
InChIInChI=1S/C37H36N2O4.C33H33F3N2O7S.C32H34N2O5/c40-34(38-17-19-43-20-18-38)24-39-33-23-31(37(41)42)15-16-32(33)35(26-9-5-2-6-10-26)36(39)30-14-13-28-21-27(11-12-29(28)22-30)25-7-3-1-4-8-25;1-43-32(40)25-10-12-27-28(19-25)38(20-29(39)37-13-15-44-16-14-37)31(30(27)21-5-3-2-4-6-21)24-8-7-23-18-26(11-9-22(23)17-24)45-46(41,42)33(34,35)36;1-38-32(37)25-10-12-27-28(19-25)34(20-29(36)33-13-15-39-16-14-33)31(30(27)21-5-3-2-4-6-21)24-8-7-23-18-26(35)11-9-22(23)17-24/h1,3-4,7-8,11-16,21-23,26H,2,5-6,9-10,17-20,24H2,(H,41,42);7-12,17-19,21H,2-6,13-16,20H2,1H3;7-12,17-19,21,35H,2-6,13-16,20H2,1H3
InChIKeyFYZASVANRBLJHI-UHFFFAOYSA-N
XLogP19.98
TPSA256.91 Ų
H-Bond Donors2
H-Bond Acceptors18
Rotatable Bonds18
Heavy Atoms128
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001758.03
LogP ≤ 519.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Analyze 3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-(6-phenylnaphthalen-2-yl)indole-6-carboxylic acid;methyl 3-cyclohexyl-2-(6-hydroxynaphthalen-2-yl)-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxylate;methyl 3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-[6-(trifluoromethylsulfonyloxy)naphthalen-2-yl]indole-6-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-(6-phenylnaphthalen-2-yl)indole-6-carboxylic acid;methyl 3-cyclohexyl-2-(6-hydroxynaphthalen-2-yl)-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxylate;methyl 3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-[6-(trifluoromethylsulfonyloxy)naphthalen-2-yl]indole-6-carboxylate?
The IUPAC name of 3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-(6-phenylnaphthalen-2-yl)indole-6-carboxylic acid;methyl 3-cyclohexyl-2-(6-hydroxynaphthalen-2-yl)-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxylate;methyl 3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-[6-(trifluoromethylsulfonyloxy)naphthalen-2-yl]indole-6-carboxylate (CID 158184456) is 3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-(6-phenylnaphthalen-2-yl)indole-6-carboxylic acid;methyl 3-cyclohexyl-2-(6-hydroxynaphthalen-2-yl)-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxylate;methyl 3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-[6-(trifluoromethylsulfonyloxy)naphthalen-2-yl]indole-6-carboxylate.
What is the SMILES notation for 3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-(6-phenylnaphthalen-2-yl)indole-6-carboxylic acid;methyl 3-cyclohexyl-2-(6-hydroxynaphthalen-2-yl)-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxylate;methyl 3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-[6-(trifluoromethylsulfonyloxy)naphthalen-2-yl]indole-6-carboxylate?
The canonical SMILES for 3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-(6-phenylnaphthalen-2-yl)indole-6-carboxylic acid;methyl 3-cyclohexyl-2-(6-hydroxynaphthalen-2-yl)-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxylate;methyl 3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-[6-(trifluoromethylsulfonyloxy)naphthalen-2-yl]indole-6-carboxylate is COC(=O)c1ccc2c(C3CCCCC3)c(-c3ccc4cc(O)ccc4c3)n(CC(=O)N3CCOCC3)c2c1.COC(=O)c1ccc2c(C3CCCCC3)c(-c3ccc4cc(OS(=O)(=O)C(F)(F)F)ccc4c3)n(CC(=O)N3CCOCC3)c2c1.O=C(O)c1ccc2c(C3CCCCC3)c(-c3ccc4cc(-c5ccccc5)ccc4c3)n(CC(=O)N3CCOCC3)c2c1.
What is the InChIKey of 3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-(6-phenylnaphthalen-2-yl)indole-6-carboxylic acid;methyl 3-cyclohexyl-2-(6-hydroxynaphthalen-2-yl)-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxylate;methyl 3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-[6-(trifluoromethylsulfonyloxy)naphthalen-2-yl]indole-6-carboxylate?
The InChIKey is FYZASVANRBLJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H36N2O4.C33H33F3N2O7S.C32H34N2O5/c40-34(38-17-19-43-20-18-38)24-39-33-23-31(37(41)42)15-16-32(33)35(26-9-5-2-6-10-26)36(39)30-14-13-28-21-27(11-12-29(28)22-30)25-7-3-1-4-8-25;1-43-32(40)25-10-12-27-28(19-25)38(20-29(39)37-13-15-44-16-14-37)31(30(27)21-5-3-2-4-6-21)24-8-7-23-18-26(11-9-22(23)17-24)45-46(41,42)33(34,35)36;1-38-32(37)25-10-12-27-28(19-25)34(20-29(36)33-13-15-39-16-14-33)31(30(27)21-5-3-2-4-6-21)24-8-7-23-18-26(35)11-9-22(23)17-24/h1,3-4,7-8,11-16,21-23,26H,2,5-6,9-10,17-20,24H2,(H,41,42);7-12,17-19,21H,2-6,13-16,20H2,1H3;7-12,17-19,21,35H,2-6,13-16,20H2,1H3.
What are the key properties of 3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-(6-phenylnaphthalen-2-yl)indole-6-carboxylic acid;methyl 3-cyclohexyl-2-(6-hydroxynaphthalen-2-yl)-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxylate;methyl 3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-[6-(trifluoromethylsulfonyloxy)naphthalen-2-yl]indole-6-carboxylate?
3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-(6-phenylnaphthalen-2-yl)indole-6-carboxylic acid;methyl 3-cyclohexyl-2-(6-hydroxynaphthalen-2-yl)-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxylate;methyl 3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-[6-(trifluoromethylsulfonyloxy)naphthalen-2-yl]indole-6-carboxylate has a molecular weight of 1758.03 g/mol, XLogP of 19.98, 18 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-(6-phenylnaphthalen-2-yl)indole-6-carboxylic acid;methyl 3-cyclohexyl-2-(6-hydroxynaphthalen-2-yl)-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxylate;methyl 3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-[6-(trifluoromethylsulfonyloxy)naphthalen-2-yl]indole-6-carboxylate is sourced from PubChem (CID 158184456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).