(4-chlorophenyl) 6-methoxy-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(3-chlorophenyl)methyl 6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbodithioate;2-fluoroethyl 6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbodithioate;2-(2-methoxyethoxy)ethyl 6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbodithioate;2-methoxyethyl 6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbodithioate

C119H115Cl6FN10O11S8 — CID 157255275

About (4-chlorophenyl) 6-methoxy-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(3-chlorophenyl)methyl 6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbodithioate;2-fluoroethyl 6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbodithioate;2-(2-methoxyethoxy)ethyl 6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbodithioate;2-methoxyethyl 6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbodithioate

(4-chlorophenyl) 6-methoxy-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(3-chlorophenyl)methyl 6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbodithioate;2-fluoroethyl 6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbodithioate;2-(2-methoxyethoxy)ethyl 6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbodithioate;2-methoxyethyl 6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbodithioate (PubChem CID 157255275) has the molecular formula C119H115Cl6FN10O11S8 and a molecular weight of 2349.54 g/mol. Its IUPAC name is (4-chlorophenyl) 6-methoxy-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(3-chlorophenyl)methyl 6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbodithioate;2-fluoroethyl 6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbodithioate;2-(2-methoxyethoxy)ethyl 6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbodithioate;2-methoxyethyl 6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbodithioate.

Molecular Properties

• Compound Name: (4-chlorophenyl) 6-methoxy-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(3-chlorophenyl)methyl 6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbodithioate;2-fluoroethyl 6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbodithioate;2-(2-methoxyethoxy)ethyl 6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbodithioate;2-methoxyethyl 6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbodithioate
• PubChem CID: 157255275
• Molecular Formula: C119H115Cl6FN10O11S8
• Molecular Weight: 2349.54 g/mol
• Exact Mass: 2344.46
• IUPAC Name: (4-chlorophenyl) 6-methoxy-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(3-chlorophenyl)methyl 6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbodithioate;2-fluoroethyl 6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbodithioate;2-(2-methoxyethoxy)ethyl 6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbodithioate;2-methoxyethyl 6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbodithioate
• SMILES: COCCOCCSC(=S)N1CCc2c([nH]c3ccc(Cl)cc23)C1c1ccc(OC)cc1.COCCSC(=S)N1CCc2c([nH]c3ccc(Cl)cc23)C1c1ccc(OC)cc1.COc1ccc(C2c3[nH]c4ccc(Cl)cc4c3CCN2C(=S)SCCF)cc1.COc1ccc(C2c3[nH]c4ccc(Cl)cc4c3CCN2C(=S)SCc2cccc(Cl)c2)cc1.COc1ccc(C2c3[nH]c4ccc(OC)cc4c3CCN2C(=O)Oc2ccc(Cl)cc2)cc1
• InChI: InChI=1S/C26H22Cl2N2OS2.C26H23ClN2O4.C24H27ClN2O3S2.C22H23ClN2O2S2.C21H20ClFN2OS2/c1-31-20-8-5-17(6-9-20)25-24-21(22-14-19(28)7-10-23(22)29-24)11-12-30(25)26(32)33-15-16-3-2-4-18(27)13-16;1-31-18-7-3-16(4-8-18)25-24-21(22-15-20(32-2)11-12-23(22)28-24)13-14-29(25)26(30)33-19-9-5-17(27)6-10-19;1-28-11-12-30-13-14-32-24(31)27-10-9-19-20-15-17(25)5-8-21(20)26-22(19)23(27)16-3-6-18(29-2)7-4-16;1-26-11-12-29-22(28)25-10-9-17-18-13-15(23)5-8-19(18)24-20(17)21(25)14-3-6-16(27-2)7-4-14;1-26-15-5-2-13(3-6-15)20-19-16(8-10-25(20)21(27)28-11-9-23)17-12-14(22)4-7-18(17)24-19/h2-10,13-14,25,29H,11-12,15H2,1H3;3-12,15,25,28H,13-14H2,1-2H3;3-8,15,23,26H,9-14H2,1-2H3;3-8,13,21,24H,9-12H2,1-2H3;2-7,12,20,24H,8-11H2,1H3
• InChIKey: AWUWLZXYENPJRG-UHFFFAOYSA-N
• XLogP: 30.30
• TPSA: 204.52 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 19
• Rotatable Bonds: 25
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2349.54
LogP ≤ 5	30.30
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl) 6-methoxy-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(3-chlorophenyl)methyl 6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbodithioate;2-fluoroethyl 6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbodithioate;2-(2-methoxyethoxy)ethyl 6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbodithioate;2-methoxyethyl 6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbodithioate?

The IUPAC name of (4-chlorophenyl) 6-methoxy-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(3-chlorophenyl)methyl 6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbodithioate;2-fluoroethyl 6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbodithioate;2-(2-methoxyethoxy)ethyl 6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbodithioate;2-methoxyethyl 6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbodithioate (CID 157255275) is (4-chlorophenyl) 6-methoxy-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(3-chlorophenyl)methyl 6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbodithioate;2-fluoroethyl 6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbodithioate;2-(2-methoxyethoxy)ethyl 6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbodithioate;2-methoxyethyl 6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbodithioate.

What is the SMILES notation for (4-chlorophenyl) 6-methoxy-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(3-chlorophenyl)methyl 6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbodithioate;2-fluoroethyl 6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbodithioate;2-(2-methoxyethoxy)ethyl 6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbodithioate;2-methoxyethyl 6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbodithioate?

The canonical SMILES for (4-chlorophenyl) 6-methoxy-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(3-chlorophenyl)methyl 6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbodithioate;2-fluoroethyl 6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbodithioate;2-(2-methoxyethoxy)ethyl 6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbodithioate;2-methoxyethyl 6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbodithioate is COCCOCCSC(=S)N1CCc2c([nH]c3ccc(Cl)cc23)C1c1ccc(OC)cc1.COCCSC(=S)N1CCc2c([nH]c3ccc(Cl)cc23)C1c1ccc(OC)cc1.COc1ccc(C2c3[nH]c4ccc(Cl)cc4c3CCN2C(=S)SCCF)cc1.COc1ccc(C2c3[nH]c4ccc(Cl)cc4c3CCN2C(=S)SCc2cccc(Cl)c2)cc1.COc1ccc(C2c3[nH]c4ccc(OC)cc4c3CCN2C(=O)Oc2ccc(Cl)cc2)cc1.

What is the InChIKey of (4-chlorophenyl) 6-methoxy-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(3-chlorophenyl)methyl 6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbodithioate;2-fluoroethyl 6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbodithioate;2-(2-methoxyethoxy)ethyl 6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbodithioate;2-methoxyethyl 6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbodithioate?

The InChIKey is AWUWLZXYENPJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22Cl2N2OS2.C26H23ClN2O4.C24H27ClN2O3S2.C22H23ClN2O2S2.C21H20ClFN2OS2/c1-31-20-8-5-17(6-9-20)25-24-21(22-14-19(28)7-10-23(22)29-24)11-12-30(25)26(32)33-15-16-3-2-4-18(27)13-16;1-31-18-7-3-16(4-8-18)25-24-21(22-15-20(32-2)11-12-23(22)28-24)13-14-29(25)26(30)33-19-9-5-17(27)6-10-19;1-28-11-12-30-13-14-32-24(31)27-10-9-19-20-15-17(25)5-8-21(20)26-22(19)23(27)16-3-6-18(29-2)7-4-16;1-26-11-12-29-22(28)25-10-9-17-18-13-15(23)5-8-19(18)24-20(17)21(25)14-3-6-16(27-2)7-4-14;1-26-15-5-2-13(3-6-15)20-19-16(8-10-25(20)21(27)28-11-9-23)17-12-14(22)4-7-18(17)24-19/h2-10,13-14,25,29H,11-12,15H2,1H3;3-12,15,25,28H,13-14H2,1-2H3;3-8,15,23,26H,9-14H2,1-2H3;3-8,13,21,24H,9-12H2,1-2H3;2-7,12,20,24H,8-11H2,1H3.

What are the key properties of (4-chlorophenyl) 6-methoxy-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(3-chlorophenyl)methyl 6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbodithioate;2-fluoroethyl 6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbodithioate;2-(2-methoxyethoxy)ethyl 6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbodithioate;2-methoxyethyl 6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbodithioate?

(4-chlorophenyl) 6-methoxy-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(3-chlorophenyl)methyl 6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbodithioate;2-fluoroethyl 6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbodithioate;2-(2-methoxyethoxy)ethyl 6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbodithioate;2-methoxyethyl 6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbodithioate has a molecular weight of 2349.54 g/mol, XLogP of 30.30, 25 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for (4-chlorophenyl) 6-methoxy-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(3-chlorophenyl)methyl 6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbodithioate;2-fluoroethyl 6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbodithioate;2-(2-methoxyethoxy)ethyl 6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbodithioate;2-methoxyethyl 6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbodithioate is sourced from PubChem (CID 157255275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).