6-chloro-1-(3,4-dimethoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-methoxy-1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-methoxy-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;7-methoxy-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-methoxy-1-pyridin-3-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;8-methyl-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol

C126H126ClN15O8 — CID 158503484

About 6-chloro-1-(3,4-dimethoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-methoxy-1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-methoxy-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;7-methoxy-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-methoxy-1-pyridin-3-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;8-methyl-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol

6-chloro-1-(3,4-dimethoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-methoxy-1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-methoxy-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;7-methoxy-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-methoxy-1-pyridin-3-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;8-methyl-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol (PubChem CID 158503484) has the molecular formula C126H126ClN15O8 and a molecular weight of 2013.94 g/mol. Its IUPAC name is 6-chloro-1-(3,4-dimethoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-methoxy-1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-methoxy-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;7-methoxy-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-methoxy-1-pyridin-3-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;8-methyl-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol.

Molecular Properties

• Compound Name: 6-chloro-1-(3,4-dimethoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-methoxy-1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-methoxy-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;7-methoxy-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-methoxy-1-pyridin-3-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;8-methyl-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol
• PubChem CID: 158503484
• Molecular Formula: C126H126ClN15O8
• Molecular Weight: 2013.94 g/mol
• Exact Mass: 2011.96
• IUPAC Name: 6-chloro-1-(3,4-dimethoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-methoxy-1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-methoxy-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;7-methoxy-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-methoxy-1-pyridin-3-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;8-methyl-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol
• SMILES: COc1ccc(C2NCCc3c2[nH]c2ccc(Cl)cc32)cc1OC.COc1ccc(C2NCCc3c2[nH]c2ccc(OC)cc32)cc1.COc1ccc2[nH]c3c(c2c1)CCNC3c1ccccc1.COc1ccc2[nH]c3c(c2c1)CCNC3c1cccnc1.COc1ccc2c3c([nH]c2c1)C(c1ccccc1)NCC3.Cc1cccc2c3c([nH]c12)C(c1ccccc1)NCC3.Oc1ccc2[nH]c3c(c2c1)CCNC3c1ccccc1
• InChI: InChI=1S/C19H19ClN2O2.C19H20N2O2.2C18H18N2O.C18H18N2.C17H17N3O.C17H16N2O/c1-23-16-6-3-11(9-17(16)24-2)18-19-13(7-8-21-18)14-10-12(20)4-5-15(14)22-19;1-22-13-5-3-12(4-6-13)18-19-15(9-10-20-18)16-11-14(23-2)7-8-17(16)21-19;1-21-13-7-8-16-15(11-13)14-9-10-19-17(18(14)20-16)12-5-3-2-4-6-12;1-21-13-7-8-14-15-9-10-19-17(12-5-3-2-4-6-12)18(15)20-16(14)11-13;1-12-6-5-9-14-15-10-11-19-17(18(15)20-16(12)14)13-7-3-2-4-8-13;1-21-12-4-5-15-14(9-12)13-6-8-19-16(17(13)20-15)11-3-2-7-18-10-11;20-12-6-7-15-14(10-12)13-8-9-18-16(17(13)19-15)11-4-2-1-3-5-11/h3-6,9-10,18,21-22H,7-8H2,1-2H3;3-8,11,18,20-21H,9-10H2,1-2H3;2*2-8,11,17,19-20H,9-10H2,1H3;2-9,17,19-20H,10-11H2,1H3;2-5,7,9-10,16,19-20H,6,8H2,1H3;1-7,10,16,18-20H,8-9H2
• InChIKey: HKEOLTXJNJPRHO-UHFFFAOYSA-N
• XLogP: 23.94
• TPSA: 292.47 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 16
• Rotatable Bonds: 14
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2013.94
LogP ≤ 5	23.94
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(3,4-dimethoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-methoxy-1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-methoxy-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;7-methoxy-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-methoxy-1-pyridin-3-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;8-methyl-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol?

The IUPAC name of 6-chloro-1-(3,4-dimethoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-methoxy-1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-methoxy-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;7-methoxy-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-methoxy-1-pyridin-3-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;8-methyl-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol (CID 158503484) is 6-chloro-1-(3,4-dimethoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-methoxy-1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-methoxy-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;7-methoxy-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-methoxy-1-pyridin-3-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;8-methyl-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol.

What is the SMILES notation for 6-chloro-1-(3,4-dimethoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-methoxy-1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-methoxy-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;7-methoxy-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-methoxy-1-pyridin-3-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;8-methyl-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol?

The canonical SMILES for 6-chloro-1-(3,4-dimethoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-methoxy-1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-methoxy-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;7-methoxy-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-methoxy-1-pyridin-3-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;8-methyl-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol is COc1ccc(C2NCCc3c2[nH]c2ccc(Cl)cc32)cc1OC.COc1ccc(C2NCCc3c2[nH]c2ccc(OC)cc32)cc1.COc1ccc2[nH]c3c(c2c1)CCNC3c1ccccc1.COc1ccc2[nH]c3c(c2c1)CCNC3c1cccnc1.COc1ccc2c3c([nH]c2c1)C(c1ccccc1)NCC3.Cc1cccc2c3c([nH]c12)C(c1ccccc1)NCC3.Oc1ccc2[nH]c3c(c2c1)CCNC3c1ccccc1.

What is the InChIKey of 6-chloro-1-(3,4-dimethoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-methoxy-1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-methoxy-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;7-methoxy-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-methoxy-1-pyridin-3-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;8-methyl-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol?

The InChIKey is HKEOLTXJNJPRHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O2.C19H20N2O2.2C18H18N2O.C18H18N2.C17H17N3O.C17H16N2O/c1-23-16-6-3-11(9-17(16)24-2)18-19-13(7-8-21-18)14-10-12(20)4-5-15(14)22-19;1-22-13-5-3-12(4-6-13)18-19-15(9-10-20-18)16-11-14(23-2)7-8-17(16)21-19;1-21-13-7-8-16-15(11-13)14-9-10-19-17(18(14)20-16)12-5-3-2-4-6-12;1-21-13-7-8-14-15-9-10-19-17(12-5-3-2-4-6-12)18(15)20-16(14)11-13;1-12-6-5-9-14-15-10-11-19-17(18(15)20-16(12)14)13-7-3-2-4-8-13;1-21-12-4-5-15-14(9-12)13-6-8-19-16(17(13)20-15)11-3-2-7-18-10-11;20-12-6-7-15-14(10-12)13-8-9-18-16(17(13)19-15)11-4-2-1-3-5-11/h3-6,9-10,18,21-22H,7-8H2,1-2H3;3-8,11,18,20-21H,9-10H2,1-2H3;2*2-8,11,17,19-20H,9-10H2,1H3;2-9,17,19-20H,10-11H2,1H3;2-5,7,9-10,16,19-20H,6,8H2,1H3;1-7,10,16,18-20H,8-9H2.

What are the key properties of 6-chloro-1-(3,4-dimethoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-methoxy-1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-methoxy-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;7-methoxy-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-methoxy-1-pyridin-3-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;8-methyl-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol?

6-chloro-1-(3,4-dimethoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-methoxy-1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-methoxy-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;7-methoxy-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-methoxy-1-pyridin-3-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;8-methyl-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol has a molecular weight of 2013.94 g/mol, XLogP of 23.94, 14 rotatable bonds, 15 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-1-(3,4-dimethoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-methoxy-1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-methoxy-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;7-methoxy-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-methoxy-1-pyridin-3-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;8-methyl-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol is sourced from PubChem (CID 158503484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).