3,7-dimethoxy-1-methyl-9H-pyrido[3,4-b]indole;1,7-dimethoxy-9H-pyrido[3,4-b]indole;3-fluoro-7-methoxy-1-methyl-9H-pyrido[3,4-b]indole;3-fluoro-1-methyl-2,9-dihydropyrido[3,4-b]indol-7-one;7-hydroxy-1-methyl-2,9-dihydropyrido[3,4-b]indol-3-one;2-hydroxy-1-methyl-9H-pyrido[3,4-b]indol-2-ium-7-ol;1-methoxy-2,9-dihydropyrido[3,4-b]indol-7-one;7-methoxy-1,2-dimethyl-9H-pyrido[3,4-b]indol-2-ium;3-methoxy-1-methyl-2,9-dihydropyrido[3,4-b]indol-7-one;7-methoxy-1-methyl-2,9-dihydropyrido[3,4-b]indol-3-one;7-methoxy-1-(trifluoromethyl)-9H-pyrido[3,4-b]indole;1-(trifluoromethyl)-2,9-dihydropyrido[3,4-b]indol-7-one

C153H132F8N24O19+2 — CID 162223210

About 3,7-dimethoxy-1-methyl-9H-pyrido[3,4-b]indole;1,7-dimethoxy-9H-pyrido[3,4-b]indole;3-fluoro-7-methoxy-1-methyl-9H-pyrido[3,4-b]indole;3-fluoro-1-methyl-2,9-dihydropyrido[3,4-b]indol-7-one;7-hydroxy-1-methyl-2,9-dihydropyrido[3,4-b]indol-3-one;2-hydroxy-1-methyl-9H-pyrido[3,4-b]indol-2-ium-7-ol;1-methoxy-2,9-dihydropyrido[3,4-b]indol-7-one;7-methoxy-1,2-dimethyl-9H-pyrido[3,4-b]indol-2-ium;3-methoxy-1-methyl-2,9-dihydropyrido[3,4-b]indol-7-one;7-methoxy-1-methyl-2,9-dihydropyrido[3,4-b]indol-3-one;7-methoxy-1-(trifluoromethyl)-9H-pyrido[3,4-b]indole;1-(trifluoromethyl)-2,9-dihydropyrido[3,4-b]indol-7-one

3,7-dimethoxy-1-methyl-9H-pyrido[3,4-b]indole;1,7-dimethoxy-9H-pyrido[3,4-b]indole;3-fluoro-7-methoxy-1-methyl-9H-pyrido[3,4-b]indole;3-fluoro-1-methyl-2,9-dihydropyrido[3,4-b]indol-7-one;7-hydroxy-1-methyl-2,9-dihydropyrido[3,4-b]indol-3-one;2-hydroxy-1-methyl-9H-pyrido[3,4-b]indol-2-ium-7-ol;1-methoxy-2,9-dihydropyrido[3,4-b]indol-7-one;7-methoxy-1,2-dimethyl-9H-pyrido[3,4-b]indol-2-ium;3-methoxy-1-methyl-2,9-dihydropyrido[3,4-b]indol-7-one;7-methoxy-1-methyl-2,9-dihydropyrido[3,4-b]indol-3-one;7-methoxy-1-(trifluoromethyl)-9H-pyrido[3,4-b]indole;1-(trifluoromethyl)-2,9-dihydropyrido[3,4-b]indol-7-one (PubChem CID 162223210) has the molecular formula C153H132F8N24O19+2 and a molecular weight of 2762.87 g/mol. Its IUPAC name is 3,7-dimethoxy-1-methyl-9H-pyrido[3,4-b]indole;1,7-dimethoxy-9H-pyrido[3,4-b]indole;3-fluoro-7-methoxy-1-methyl-9H-pyrido[3,4-b]indole;3-fluoro-1-methyl-2,9-dihydropyrido[3,4-b]indol-7-one;7-hydroxy-1-methyl-2,9-dihydropyrido[3,4-b]indol-3-one;2-hydroxy-1-methyl-9H-pyrido[3,4-b]indol-2-ium-7-ol;1-methoxy-2,9-dihydropyrido[3,4-b]indol-7-one;7-methoxy-1,2-dimethyl-9H-pyrido[3,4-b]indol-2-ium;3-methoxy-1-methyl-2,9-dihydropyrido[3,4-b]indol-7-one;7-methoxy-1-methyl-2,9-dihydropyrido[3,4-b]indol-3-one;7-methoxy-1-(trifluoromethyl)-9H-pyrido[3,4-b]indole;1-(trifluoromethyl)-2,9-dihydropyrido[3,4-b]indol-7-one.

Molecular Properties

• Compound Name: 3,7-dimethoxy-1-methyl-9H-pyrido[3,4-b]indole;1,7-dimethoxy-9H-pyrido[3,4-b]indole;3-fluoro-7-methoxy-1-methyl-9H-pyrido[3,4-b]indole;3-fluoro-1-methyl-2,9-dihydropyrido[3,4-b]indol-7-one;7-hydroxy-1-methyl-2,9-dihydropyrido[3,4-b]indol-3-one;2-hydroxy-1-methyl-9H-pyrido[3,4-b]indol-2-ium-7-ol;1-methoxy-2,9-dihydropyrido[3,4-b]indol-7-one;7-methoxy-1,2-dimethyl-9H-pyrido[3,4-b]indol-2-ium;3-methoxy-1-methyl-2,9-dihydropyrido[3,4-b]indol-7-one;7-methoxy-1-methyl-2,9-dihydropyrido[3,4-b]indol-3-one;7-methoxy-1-(trifluoromethyl)-9H-pyrido[3,4-b]indole;1-(trifluoromethyl)-2,9-dihydropyrido[3,4-b]indol-7-one
• PubChem CID: 162223210
• Molecular Formula: C153H132F8N24O19+2
• Molecular Weight: 2762.87 g/mol
• Exact Mass: 2761.00
• IUPAC Name: 3,7-dimethoxy-1-methyl-9H-pyrido[3,4-b]indole;1,7-dimethoxy-9H-pyrido[3,4-b]indole;3-fluoro-7-methoxy-1-methyl-9H-pyrido[3,4-b]indole;3-fluoro-1-methyl-2,9-dihydropyrido[3,4-b]indol-7-one;7-hydroxy-1-methyl-2,9-dihydropyrido[3,4-b]indol-3-one;2-hydroxy-1-methyl-9H-pyrido[3,4-b]indol-2-ium-7-ol;1-methoxy-2,9-dihydropyrido[3,4-b]indol-7-one;7-methoxy-1,2-dimethyl-9H-pyrido[3,4-b]indol-2-ium;3-methoxy-1-methyl-2,9-dihydropyrido[3,4-b]indol-7-one;7-methoxy-1-methyl-2,9-dihydropyrido[3,4-b]indol-3-one;7-methoxy-1-(trifluoromethyl)-9H-pyrido[3,4-b]indole;1-(trifluoromethyl)-2,9-dihydropyrido[3,4-b]indol-7-one
• SMILES: COc1[nH]ccc2c1[nH]c1cc(=O)ccc12.COc1cc2c([nH]c3cc(=O)ccc32)c(C)[nH]1.COc1ccc2c(c1)[nH]c1c(C(F)(F)F)nccc12.COc1ccc2c(c1)[nH]c1c(C)[n+](C)ccc12.COc1ccc2c(c1)[nH]c1c(C)[nH]c(=O)cc12.COc1ccc2c(c1)[nH]c1c(C)nc(F)cc12.COc1ccc2c(c1)[nH]c1c(C)nc(OC)cc12.COc1ccc2c(c1)[nH]c1c(OC)nccc12.Cc1[nH]c(=O)cc2c1[nH]c1cc(O)ccc12.Cc1[nH]c(F)cc2c1[nH]c1cc(=O)ccc12.Cc1c2[nH]c3cc(O)ccc3c2cc[n+]1O.O=c1ccc2c(c1)[nH]c1c(C(F)(F)F)[nH]ccc12
• InChI: InChI=1S/C14H14N2O2.C14H14N2O.C13H9F3N2O.C13H11FN2O.3C13H12N2O2.C12H7F3N2O.C12H9FN2O.3C12H10N2O2/c1-8-14-11(7-13(15-8)18-3)10-5-4-9(17-2)6-12(10)16-14;1-9-14-12(6-7-16(9)2)11-5-4-10(17-3)8-13(11)15-14;1-19-7-2-3-8-9-4-5-17-12(13(14,15)16)11(9)18-10(8)6-7;1-7-13-10(6-12(14)15-7)9-4-3-8(17-2)5-11(9)16-13;1-7-13-10(6-12(16)14-7)9-4-3-8(17-2)5-11(9)15-13;1-7-13-10(6-12(14-7)17-2)9-4-3-8(16)5-11(9)15-13;1-16-8-3-4-9-10-5-6-14-13(17-2)12(10)15-11(9)7-8;13-12(14,15)11-10-8(3-4-16-11)7-2-1-6(18)5-9(7)17-10;1-6-12-9(5-11(13)14-6)8-3-2-7(16)4-10(8)15-12;1-6-12-9(5-11(16)13-6)8-3-2-7(15)4-10(8)14-12;1-16-12-11-9(4-5-13-12)8-3-2-7(15)6-10(8)14-11;1-7-12-10(4-5-14(7)16)9-3-2-8(15)6-11(9)13-12/h4-7,16H,1-3H3;4-8H,1-3H3;2-6,18H,1H3;3-6,16H,1-2H3;3-6,15H,1-2H3,(H,14,16);3-6,14-15H,1-2H3;3-7,15H,1-2H3;1-5,16-17H;2-5,14-15H,1H3;2-5,14-15H,1H3,(H,13,16);2-6,13-14H,1H3;2-6,16H,1H3,(H,13,15)/p+2
• InChIKey: SAADRUCKNIMJOU-UHFFFAOYSA-P
• XLogP: 31.19
• TPSA: 598.95 Ų
• H-Bond Donors: 21
• H-Bond Acceptors: 23
• Rotatable Bonds: 10
• Heavy Atoms: 204
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2762.87
LogP ≤ 5	31.19
H-Bond Donors ≤ 5	21
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethoxy-1-methyl-9H-pyrido[3,4-b]indole;1,7-dimethoxy-9H-pyrido[3,4-b]indole;3-fluoro-7-methoxy-1-methyl-9H-pyrido[3,4-b]indole;3-fluoro-1-methyl-2,9-dihydropyrido[3,4-b]indol-7-one;7-hydroxy-1-methyl-2,9-dihydropyrido[3,4-b]indol-3-one;2-hydroxy-1-methyl-9H-pyrido[3,4-b]indol-2-ium-7-ol;1-methoxy-2,9-dihydropyrido[3,4-b]indol-7-one;7-methoxy-1,2-dimethyl-9H-pyrido[3,4-b]indol-2-ium;3-methoxy-1-methyl-2,9-dihydropyrido[3,4-b]indol-7-one;7-methoxy-1-methyl-2,9-dihydropyrido[3,4-b]indol-3-one;7-methoxy-1-(trifluoromethyl)-9H-pyrido[3,4-b]indole;1-(trifluoromethyl)-2,9-dihydropyrido[3,4-b]indol-7-one?

The IUPAC name of 3,7-dimethoxy-1-methyl-9H-pyrido[3,4-b]indole;1,7-dimethoxy-9H-pyrido[3,4-b]indole;3-fluoro-7-methoxy-1-methyl-9H-pyrido[3,4-b]indole;3-fluoro-1-methyl-2,9-dihydropyrido[3,4-b]indol-7-one;7-hydroxy-1-methyl-2,9-dihydropyrido[3,4-b]indol-3-one;2-hydroxy-1-methyl-9H-pyrido[3,4-b]indol-2-ium-7-ol;1-methoxy-2,9-dihydropyrido[3,4-b]indol-7-one;7-methoxy-1,2-dimethyl-9H-pyrido[3,4-b]indol-2-ium;3-methoxy-1-methyl-2,9-dihydropyrido[3,4-b]indol-7-one;7-methoxy-1-methyl-2,9-dihydropyrido[3,4-b]indol-3-one;7-methoxy-1-(trifluoromethyl)-9H-pyrido[3,4-b]indole;1-(trifluoromethyl)-2,9-dihydropyrido[3,4-b]indol-7-one (CID 162223210) is 3,7-dimethoxy-1-methyl-9H-pyrido[3,4-b]indole;1,7-dimethoxy-9H-pyrido[3,4-b]indole;3-fluoro-7-methoxy-1-methyl-9H-pyrido[3,4-b]indole;3-fluoro-1-methyl-2,9-dihydropyrido[3,4-b]indol-7-one;7-hydroxy-1-methyl-2,9-dihydropyrido[3,4-b]indol-3-one;2-hydroxy-1-methyl-9H-pyrido[3,4-b]indol-2-ium-7-ol;1-methoxy-2,9-dihydropyrido[3,4-b]indol-7-one;7-methoxy-1,2-dimethyl-9H-pyrido[3,4-b]indol-2-ium;3-methoxy-1-methyl-2,9-dihydropyrido[3,4-b]indol-7-one;7-methoxy-1-methyl-2,9-dihydropyrido[3,4-b]indol-3-one;7-methoxy-1-(trifluoromethyl)-9H-pyrido[3,4-b]indole;1-(trifluoromethyl)-2,9-dihydropyrido[3,4-b]indol-7-one.

What is the SMILES notation for 3,7-dimethoxy-1-methyl-9H-pyrido[3,4-b]indole;1,7-dimethoxy-9H-pyrido[3,4-b]indole;3-fluoro-7-methoxy-1-methyl-9H-pyrido[3,4-b]indole;3-fluoro-1-methyl-2,9-dihydropyrido[3,4-b]indol-7-one;7-hydroxy-1-methyl-2,9-dihydropyrido[3,4-b]indol-3-one;2-hydroxy-1-methyl-9H-pyrido[3,4-b]indol-2-ium-7-ol;1-methoxy-2,9-dihydropyrido[3,4-b]indol-7-one;7-methoxy-1,2-dimethyl-9H-pyrido[3,4-b]indol-2-ium;3-methoxy-1-methyl-2,9-dihydropyrido[3,4-b]indol-7-one;7-methoxy-1-methyl-2,9-dihydropyrido[3,4-b]indol-3-one;7-methoxy-1-(trifluoromethyl)-9H-pyrido[3,4-b]indole;1-(trifluoromethyl)-2,9-dihydropyrido[3,4-b]indol-7-one?

The canonical SMILES for 3,7-dimethoxy-1-methyl-9H-pyrido[3,4-b]indole;1,7-dimethoxy-9H-pyrido[3,4-b]indole;3-fluoro-7-methoxy-1-methyl-9H-pyrido[3,4-b]indole;3-fluoro-1-methyl-2,9-dihydropyrido[3,4-b]indol-7-one;7-hydroxy-1-methyl-2,9-dihydropyrido[3,4-b]indol-3-one;2-hydroxy-1-methyl-9H-pyrido[3,4-b]indol-2-ium-7-ol;1-methoxy-2,9-dihydropyrido[3,4-b]indol-7-one;7-methoxy-1,2-dimethyl-9H-pyrido[3,4-b]indol-2-ium;3-methoxy-1-methyl-2,9-dihydropyrido[3,4-b]indol-7-one;7-methoxy-1-methyl-2,9-dihydropyrido[3,4-b]indol-3-one;7-methoxy-1-(trifluoromethyl)-9H-pyrido[3,4-b]indole;1-(trifluoromethyl)-2,9-dihydropyrido[3,4-b]indol-7-one is COc1[nH]ccc2c1[nH]c1cc(=O)ccc12.COc1cc2c([nH]c3cc(=O)ccc32)c(C)[nH]1.COc1ccc2c(c1)[nH]c1c(C(F)(F)F)nccc12.COc1ccc2c(c1)[nH]c1c(C)[n+](C)ccc12.COc1ccc2c(c1)[nH]c1c(C)[nH]c(=O)cc12.COc1ccc2c(c1)[nH]c1c(C)nc(F)cc12.COc1ccc2c(c1)[nH]c1c(C)nc(OC)cc12.COc1ccc2c(c1)[nH]c1c(OC)nccc12.Cc1[nH]c(=O)cc2c1[nH]c1cc(O)ccc12.Cc1[nH]c(F)cc2c1[nH]c1cc(=O)ccc12.Cc1c2[nH]c3cc(O)ccc3c2cc[n+]1O.O=c1ccc2c(c1)[nH]c1c(C(F)(F)F)[nH]ccc12.

What is the InChIKey of 3,7-dimethoxy-1-methyl-9H-pyrido[3,4-b]indole;1,7-dimethoxy-9H-pyrido[3,4-b]indole;3-fluoro-7-methoxy-1-methyl-9H-pyrido[3,4-b]indole;3-fluoro-1-methyl-2,9-dihydropyrido[3,4-b]indol-7-one;7-hydroxy-1-methyl-2,9-dihydropyrido[3,4-b]indol-3-one;2-hydroxy-1-methyl-9H-pyrido[3,4-b]indol-2-ium-7-ol;1-methoxy-2,9-dihydropyrido[3,4-b]indol-7-one;7-methoxy-1,2-dimethyl-9H-pyrido[3,4-b]indol-2-ium;3-methoxy-1-methyl-2,9-dihydropyrido[3,4-b]indol-7-one;7-methoxy-1-methyl-2,9-dihydropyrido[3,4-b]indol-3-one;7-methoxy-1-(trifluoromethyl)-9H-pyrido[3,4-b]indole;1-(trifluoromethyl)-2,9-dihydropyrido[3,4-b]indol-7-one?

The InChIKey is SAADRUCKNIMJOU-UHFFFAOYSA-P. The full InChI is InChI=1S/C14H14N2O2.C14H14N2O.C13H9F3N2O.C13H11FN2O.3C13H12N2O2.C12H7F3N2O.C12H9FN2O.3C12H10N2O2/c1-8-14-11(7-13(15-8)18-3)10-5-4-9(17-2)6-12(10)16-14;1-9-14-12(6-7-16(9)2)11-5-4-10(17-3)8-13(11)15-14;1-19-7-2-3-8-9-4-5-17-12(13(14,15)16)11(9)18-10(8)6-7;1-7-13-10(6-12(14)15-7)9-4-3-8(17-2)5-11(9)16-13;1-7-13-10(6-12(16)14-7)9-4-3-8(17-2)5-11(9)15-13;1-7-13-10(6-12(14-7)17-2)9-4-3-8(16)5-11(9)15-13;1-16-8-3-4-9-10-5-6-14-13(17-2)12(10)15-11(9)7-8;13-12(14,15)11-10-8(3-4-16-11)7-2-1-6(18)5-9(7)17-10;1-6-12-9(5-11(13)14-6)8-3-2-7(16)4-10(8)15-12;1-6-12-9(5-11(16)13-6)8-3-2-7(15)4-10(8)14-12;1-16-12-11-9(4-5-13-12)8-3-2-7(15)6-10(8)14-11;1-7-12-10(4-5-14(7)16)9-3-2-8(15)6-11(9)13-12/h4-7,16H,1-3H3;4-8H,1-3H3;2-6,18H,1H3;3-6,16H,1-2H3;3-6,15H,1-2H3,(H,14,16);3-6,14-15H,1-2H3;3-7,15H,1-2H3;1-5,16-17H;2-5,14-15H,1H3;2-5,14-15H,1H3,(H,13,16);2-6,13-14H,1H3;2-6,16H,1H3,(H,13,15)/p+2.

What are the key properties of 3,7-dimethoxy-1-methyl-9H-pyrido[3,4-b]indole;1,7-dimethoxy-9H-pyrido[3,4-b]indole;3-fluoro-7-methoxy-1-methyl-9H-pyrido[3,4-b]indole;3-fluoro-1-methyl-2,9-dihydropyrido[3,4-b]indol-7-one;7-hydroxy-1-methyl-2,9-dihydropyrido[3,4-b]indol-3-one;2-hydroxy-1-methyl-9H-pyrido[3,4-b]indol-2-ium-7-ol;1-methoxy-2,9-dihydropyrido[3,4-b]indol-7-one;7-methoxy-1,2-dimethyl-9H-pyrido[3,4-b]indol-2-ium;3-methoxy-1-methyl-2,9-dihydropyrido[3,4-b]indol-7-one;7-methoxy-1-methyl-2,9-dihydropyrido[3,4-b]indol-3-one;7-methoxy-1-(trifluoromethyl)-9H-pyrido[3,4-b]indole;1-(trifluoromethyl)-2,9-dihydropyrido[3,4-b]indol-7-one?

3,7-dimethoxy-1-methyl-9H-pyrido[3,4-b]indole;1,7-dimethoxy-9H-pyrido[3,4-b]indole;3-fluoro-7-methoxy-1-methyl-9H-pyrido[3,4-b]indole;3-fluoro-1-methyl-2,9-dihydropyrido[3,4-b]indol-7-one;7-hydroxy-1-methyl-2,9-dihydropyrido[3,4-b]indol-3-one;2-hydroxy-1-methyl-9H-pyrido[3,4-b]indol-2-ium-7-ol;1-methoxy-2,9-dihydropyrido[3,4-b]indol-7-one;7-methoxy-1,2-dimethyl-9H-pyrido[3,4-b]indol-2-ium;3-methoxy-1-methyl-2,9-dihydropyrido[3,4-b]indol-7-one;7-methoxy-1-methyl-2,9-dihydropyrido[3,4-b]indol-3-one;7-methoxy-1-(trifluoromethyl)-9H-pyrido[3,4-b]indole;1-(trifluoromethyl)-2,9-dihydropyrido[3,4-b]indol-7-one has a molecular weight of 2762.87 g/mol, XLogP of 31.19, 10 rotatable bonds, 21 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 3,7-dimethoxy-1-methyl-9H-pyrido[3,4-b]indole;1,7-dimethoxy-9H-pyrido[3,4-b]indole;3-fluoro-7-methoxy-1-methyl-9H-pyrido[3,4-b]indole;3-fluoro-1-methyl-2,9-dihydropyrido[3,4-b]indol-7-one;7-hydroxy-1-methyl-2,9-dihydropyrido[3,4-b]indol-3-one;2-hydroxy-1-methyl-9H-pyrido[3,4-b]indol-2-ium-7-ol;1-methoxy-2,9-dihydropyrido[3,4-b]indol-7-one;7-methoxy-1,2-dimethyl-9H-pyrido[3,4-b]indol-2-ium;3-methoxy-1-methyl-2,9-dihydropyrido[3,4-b]indol-7-one;7-methoxy-1-methyl-2,9-dihydropyrido[3,4-b]indol-3-one;7-methoxy-1-(trifluoromethyl)-9H-pyrido[3,4-b]indole;1-(trifluoromethyl)-2,9-dihydropyrido[3,4-b]indol-7-one is sourced from PubChem (CID 162223210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).