6-chloro-1-ethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;4-(6-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-N,N-dimethylaniline;4-(6-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)phenol;N-[4-(6-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)phenyl]acetamide;6-chloro-1-[3-(trifluoromethyl)phenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;N-cyclohexyl-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide;methyl 1-phenyl-6-phenylmethoxy-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate

C137H135Cl5F3N17O7 — CID 161344308

About 6-chloro-1-ethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;4-(6-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-N,N-dimethylaniline;4-(6-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)phenol;N-[4-(6-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)phenyl]acetamide;6-chloro-1-[3-(trifluoromethyl)phenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;N-cyclohexyl-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide;methyl 1-phenyl-6-phenylmethoxy-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate

6-chloro-1-ethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;4-(6-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-N,N-dimethylaniline;4-(6-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)phenol;N-[4-(6-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)phenyl]acetamide;6-chloro-1-[3-(trifluoromethyl)phenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;N-cyclohexyl-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide;methyl 1-phenyl-6-phenylmethoxy-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate (PubChem CID 161344308) has the molecular formula C137H135Cl5F3N17O7 and a molecular weight of 2365.96 g/mol. Its IUPAC name is 6-chloro-1-ethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;4-(6-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-N,N-dimethylaniline;4-(6-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)phenol;N-[4-(6-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)phenyl]acetamide;6-chloro-1-[3-(trifluoromethyl)phenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;N-cyclohexyl-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide;methyl 1-phenyl-6-phenylmethoxy-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate.

Molecular Properties

• Compound Name: 6-chloro-1-ethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;4-(6-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-N,N-dimethylaniline;4-(6-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)phenol;N-[4-(6-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)phenyl]acetamide;6-chloro-1-[3-(trifluoromethyl)phenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;N-cyclohexyl-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide;methyl 1-phenyl-6-phenylmethoxy-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate
• PubChem CID: 161344308
• Molecular Formula: C137H135Cl5F3N17O7
• Molecular Weight: 2365.96 g/mol
• Exact Mass: 2361.91
• IUPAC Name: 6-chloro-1-ethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;4-(6-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-N,N-dimethylaniline;4-(6-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)phenol;N-[4-(6-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)phenyl]acetamide;6-chloro-1-[3-(trifluoromethyl)phenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;N-cyclohexyl-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide;methyl 1-phenyl-6-phenylmethoxy-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate
• SMILES: CC(=O)Nc1ccc(C2NCCc3c2[nH]c2ccc(Cl)cc32)cc1.CCC1NCCc2c1[nH]c1ccc(Cl)cc21.CN(C)c1ccc(C2NCCc3c2[nH]c2ccc(Cl)cc32)cc1.COC(=O)N1CCc2c([nH]c3ccc(OCc4ccccc4)cc23)C1c1ccccc1.COc1ccc(C2c3[nH]c4ccccc4c3CCN2C(=O)NC2CCCCC2)cc1.FC(F)(F)c1cccc(C2NCCc3c2[nH]c2ccc(Cl)cc32)c1.Oc1ccc(C2NCCc3c2[nH]c2ccc(Cl)cc32)cc1
• InChI: InChI=1S/C26H24N2O3.C25H29N3O2.C19H18ClN3O.C19H20ClN3.C18H14ClF3N2.C17H15ClN2O.C13H15ClN2/c1-30-26(29)28-15-14-21-22-16-20(31-17-18-8-4-2-5-9-18)12-13-23(22)27-24(21)25(28)19-10-6-3-7-11-19;1-30-19-13-11-17(12-14-19)24-23-21(20-9-5-6-10-22(20)27-23)15-16-28(24)25(29)26-18-7-3-2-4-8-18;1-11(24)22-14-5-2-12(3-6-14)18-19-15(8-9-21-18)16-10-13(20)4-7-17(16)23-19;1-23(2)14-6-3-12(4-7-14)18-19-15(9-10-21-18)16-11-13(20)5-8-17(16)22-19;19-12-4-5-15-14(9-12)13-6-7-23-16(17(13)24-15)10-2-1-3-11(8-10)18(20,21)22;18-11-3-6-15-14(9-11)13-7-8-19-16(17(13)20-15)10-1-4-12(21)5-2-10;1-2-11-13-9(5-6-15-11)10-7-8(14)3-4-12(10)16-13/h2-13,16,25,27H,14-15,17H2,1H3;5-6,9-14,18,24,27H,2-4,7-8,15-16H2,1H3,(H,26,29);2-7,10,18,21,23H,8-9H2,1H3,(H,22,24);3-8,11,18,21-22H,9-10H2,1-2H3;1-5,8-9,16,23-24H,6-7H2;1-6,9,16,19-21H,7-8H2;3-4,7,11,15-16H,2,5-6H2,1H3
• InChIKey: VNCAVRKJGGALMY-UHFFFAOYSA-N
• XLogP: 31.02
• TPSA: 303.59 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 13
• Rotatable Bonds: 14
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2365.96
LogP ≤ 5	31.02
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-ethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;4-(6-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-N,N-dimethylaniline;4-(6-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)phenol;N-[4-(6-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)phenyl]acetamide;6-chloro-1-[3-(trifluoromethyl)phenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;N-cyclohexyl-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide;methyl 1-phenyl-6-phenylmethoxy-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate?

The IUPAC name of 6-chloro-1-ethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;4-(6-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-N,N-dimethylaniline;4-(6-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)phenol;N-[4-(6-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)phenyl]acetamide;6-chloro-1-[3-(trifluoromethyl)phenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;N-cyclohexyl-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide;methyl 1-phenyl-6-phenylmethoxy-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate (CID 161344308) is 6-chloro-1-ethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;4-(6-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-N,N-dimethylaniline;4-(6-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)phenol;N-[4-(6-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)phenyl]acetamide;6-chloro-1-[3-(trifluoromethyl)phenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;N-cyclohexyl-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide;methyl 1-phenyl-6-phenylmethoxy-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate.

What is the SMILES notation for 6-chloro-1-ethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;4-(6-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-N,N-dimethylaniline;4-(6-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)phenol;N-[4-(6-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)phenyl]acetamide;6-chloro-1-[3-(trifluoromethyl)phenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;N-cyclohexyl-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide;methyl 1-phenyl-6-phenylmethoxy-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate?

The canonical SMILES for 6-chloro-1-ethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;4-(6-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-N,N-dimethylaniline;4-(6-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)phenol;N-[4-(6-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)phenyl]acetamide;6-chloro-1-[3-(trifluoromethyl)phenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;N-cyclohexyl-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide;methyl 1-phenyl-6-phenylmethoxy-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate is CC(=O)Nc1ccc(C2NCCc3c2[nH]c2ccc(Cl)cc32)cc1.CCC1NCCc2c1[nH]c1ccc(Cl)cc21.CN(C)c1ccc(C2NCCc3c2[nH]c2ccc(Cl)cc32)cc1.COC(=O)N1CCc2c([nH]c3ccc(OCc4ccccc4)cc23)C1c1ccccc1.COc1ccc(C2c3[nH]c4ccccc4c3CCN2C(=O)NC2CCCCC2)cc1.FC(F)(F)c1cccc(C2NCCc3c2[nH]c2ccc(Cl)cc32)c1.Oc1ccc(C2NCCc3c2[nH]c2ccc(Cl)cc32)cc1.

What is the InChIKey of 6-chloro-1-ethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;4-(6-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-N,N-dimethylaniline;4-(6-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)phenol;N-[4-(6-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)phenyl]acetamide;6-chloro-1-[3-(trifluoromethyl)phenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;N-cyclohexyl-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide;methyl 1-phenyl-6-phenylmethoxy-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate?

The InChIKey is VNCAVRKJGGALMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O3.C25H29N3O2.C19H18ClN3O.C19H20ClN3.C18H14ClF3N2.C17H15ClN2O.C13H15ClN2/c1-30-26(29)28-15-14-21-22-16-20(31-17-18-8-4-2-5-9-18)12-13-23(22)27-24(21)25(28)19-10-6-3-7-11-19;1-30-19-13-11-17(12-14-19)24-23-21(20-9-5-6-10-22(20)27-23)15-16-28(24)25(29)26-18-7-3-2-4-8-18;1-11(24)22-14-5-2-12(3-6-14)18-19-15(8-9-21-18)16-10-13(20)4-7-17(16)23-19;1-23(2)14-6-3-12(4-7-14)18-19-15(9-10-21-18)16-11-13(20)5-8-17(16)22-19;19-12-4-5-15-14(9-12)13-6-7-23-16(17(13)24-15)10-2-1-3-11(8-10)18(20,21)22;18-11-3-6-15-14(9-11)13-7-8-19-16(17(13)20-15)10-1-4-12(21)5-2-10;1-2-11-13-9(5-6-15-11)10-7-8(14)3-4-12(10)16-13/h2-13,16,25,27H,14-15,17H2,1H3;5-6,9-14,18,24,27H,2-4,7-8,15-16H2,1H3,(H,26,29);2-7,10,18,21,23H,8-9H2,1H3,(H,22,24);3-8,11,18,21-22H,9-10H2,1-2H3;1-5,8-9,16,23-24H,6-7H2;1-6,9,16,19-21H,7-8H2;3-4,7,11,15-16H,2,5-6H2,1H3.

What are the key properties of 6-chloro-1-ethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;4-(6-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-N,N-dimethylaniline;4-(6-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)phenol;N-[4-(6-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)phenyl]acetamide;6-chloro-1-[3-(trifluoromethyl)phenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;N-cyclohexyl-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide;methyl 1-phenyl-6-phenylmethoxy-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate?

6-chloro-1-ethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;4-(6-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-N,N-dimethylaniline;4-(6-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)phenol;N-[4-(6-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)phenyl]acetamide;6-chloro-1-[3-(trifluoromethyl)phenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;N-cyclohexyl-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide;methyl 1-phenyl-6-phenylmethoxy-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate has a molecular weight of 2365.96 g/mol, XLogP of 31.02, 14 rotatable bonds, 15 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-1-ethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;4-(6-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-N,N-dimethylaniline;4-(6-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)phenol;N-[4-(6-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)phenyl]acetamide;6-chloro-1-[3-(trifluoromethyl)phenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;N-cyclohexyl-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide;methyl 1-phenyl-6-phenylmethoxy-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate is sourced from PubChem (CID 161344308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).