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

C129H125Cl3N14O10 — CID 159073368

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

3-(6-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)phenol;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;N-cyclohexyl-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide;1-(4-methoxyphenyl)-6-phenylmethoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;methyl 1-phenyl-6-phenylmethoxy-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate (PubChem CID 159073368) has the molecular formula C129H125Cl3N14O10 and a molecular weight of 2137.87 g/mol. Its IUPAC name is 3-(6-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)phenol;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;N-cyclohexyl-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide;1-(4-methoxyphenyl)-6-phenylmethoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;methyl 1-phenyl-6-phenylmethoxy-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate.

Molecular Properties

• Compound Name: 3-(6-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)phenol;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;N-cyclohexyl-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide;1-(4-methoxyphenyl)-6-phenylmethoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;methyl 1-phenyl-6-phenylmethoxy-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate
• PubChem CID: 159073368
• Molecular Formula: C129H125Cl3N14O10
• Molecular Weight: 2137.87 g/mol
• Exact Mass: 2134.88
• IUPAC Name: 3-(6-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)phenol;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;N-cyclohexyl-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide;1-(4-methoxyphenyl)-6-phenylmethoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;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.COC(=O)N1CCc2c([nH]c3ccc(OCc4ccccc4)cc23)C1c1ccccc1.COc1ccc(C2NCCc3c2[nH]c2ccc(OCc4ccccc4)cc32)cc1.COc1ccc(C2c3[nH]c4ccccc4c3CCN2C(=O)NC2CCCCC2)cc1.Oc1ccc(C2NCCc3c2[nH]c2ccc(Cl)cc32)cc1.Oc1cccc(C2NCCc3c2[nH]c2ccc(Cl)cc32)c1
• InChI: InChI=1S/C26H24N2O3.C25H29N3O2.C25H24N2O2.C19H18ClN3O.2C17H15ClN2O/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;1-28-19-9-7-18(8-10-19)24-25-21(13-14-26-24)22-15-20(11-12-23(22)27-25)29-16-17-5-3-2-4-6-17;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;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;18-11-4-5-15-14(9-11)13-6-7-19-16(17(13)20-15)10-2-1-3-12(21)8-10/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);2-12,15,24,26-27H,13-14,16H2,1H3;2-7,10,18,21,23H,8-9H2,1H3,(H,22,24);1-6,9,16,19-21H,7-8H2;1-5,8-9,16,19-21H,6-7H2
• InChIKey: JZYDOTFQHBTMKV-UHFFFAOYSA-N
• XLogP: 27.16
• TPSA: 311.22 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 14
• Rotatable Bonds: 16
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2137.87
LogP ≤ 5	27.16
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 3-(6-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)phenol;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;N-cyclohexyl-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide;1-(4-methoxyphenyl)-6-phenylmethoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;methyl 1-phenyl-6-phenylmethoxy-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate (CID 159073368) is 3-(6-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)phenol;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;N-cyclohexyl-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide;1-(4-methoxyphenyl)-6-phenylmethoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;methyl 1-phenyl-6-phenylmethoxy-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate.

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

The canonical SMILES for 3-(6-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)phenol;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;N-cyclohexyl-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide;1-(4-methoxyphenyl)-6-phenylmethoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;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.COC(=O)N1CCc2c([nH]c3ccc(OCc4ccccc4)cc23)C1c1ccccc1.COc1ccc(C2NCCc3c2[nH]c2ccc(OCc4ccccc4)cc32)cc1.COc1ccc(C2c3[nH]c4ccccc4c3CCN2C(=O)NC2CCCCC2)cc1.Oc1ccc(C2NCCc3c2[nH]c2ccc(Cl)cc32)cc1.Oc1cccc(C2NCCc3c2[nH]c2ccc(Cl)cc32)c1.

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

The InChIKey is JZYDOTFQHBTMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O3.C25H29N3O2.C25H24N2O2.C19H18ClN3O.2C17H15ClN2O/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;1-28-19-9-7-18(8-10-19)24-25-21(13-14-26-24)22-15-20(11-12-23(22)27-25)29-16-17-5-3-2-4-6-17;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;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;18-11-4-5-15-14(9-11)13-6-7-19-16(17(13)20-15)10-2-1-3-12(21)8-10/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);2-12,15,24,26-27H,13-14,16H2,1H3;2-7,10,18,21,23H,8-9H2,1H3,(H,22,24);1-6,9,16,19-21H,7-8H2;1-5,8-9,16,19-21H,6-7H2.

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

3-(6-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)phenol;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;N-cyclohexyl-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide;1-(4-methoxyphenyl)-6-phenylmethoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;methyl 1-phenyl-6-phenylmethoxy-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate has a molecular weight of 2137.87 g/mol, XLogP of 27.16, 16 rotatable bonds, 14 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(6-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)phenol;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;N-cyclohexyl-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide;1-(4-methoxyphenyl)-6-phenylmethoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;methyl 1-phenyl-6-phenylmethoxy-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate is sourced from PubChem (CID 159073368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).