4-[2-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)propyl]morpholine;4-[2-[7-methoxy-1-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]propyl]morpholine;1-methyl-9-(1-morpholin-4-ylpropan-2-yl)-2H-pyrido[3,4-b]indol-7-one;9-(1-morpholin-4-ylpropan-2-yl)-1-(trifluoromethyl)-2H-pyrido[3,4-b]indol-7-one

C78H90F6N12O8 — CID 160635246

About 4-[2-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)propyl]morpholine;4-[2-[7-methoxy-1-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]propyl]morpholine;1-methyl-9-(1-morpholin-4-ylpropan-2-yl)-2H-pyrido[3,4-b]indol-7-one;9-(1-morpholin-4-ylpropan-2-yl)-1-(trifluoromethyl)-2H-pyrido[3,4-b]indol-7-one

4-[2-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)propyl]morpholine;4-[2-[7-methoxy-1-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]propyl]morpholine;1-methyl-9-(1-morpholin-4-ylpropan-2-yl)-2H-pyrido[3,4-b]indol-7-one;9-(1-morpholin-4-ylpropan-2-yl)-1-(trifluoromethyl)-2H-pyrido[3,4-b]indol-7-one (PubChem CID 160635246) has the molecular formula C78H90F6N12O8 and a molecular weight of 1437.64 g/mol. Its IUPAC name is 4-[2-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)propyl]morpholine;4-[2-[7-methoxy-1-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]propyl]morpholine;1-methyl-9-(1-morpholin-4-ylpropan-2-yl)-2H-pyrido[3,4-b]indol-7-one;9-(1-morpholin-4-ylpropan-2-yl)-1-(trifluoromethyl)-2H-pyrido[3,4-b]indol-7-one.

Molecular Properties

• Compound Name: 4-[2-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)propyl]morpholine;4-[2-[7-methoxy-1-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]propyl]morpholine;1-methyl-9-(1-morpholin-4-ylpropan-2-yl)-2H-pyrido[3,4-b]indol-7-one;9-(1-morpholin-4-ylpropan-2-yl)-1-(trifluoromethyl)-2H-pyrido[3,4-b]indol-7-one
• PubChem CID: 160635246
• Molecular Formula: C78H90F6N12O8
• Molecular Weight: 1437.64 g/mol
• Exact Mass: 1436.69
• IUPAC Name: 4-[2-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)propyl]morpholine;4-[2-[7-methoxy-1-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]propyl]morpholine;1-methyl-9-(1-morpholin-4-ylpropan-2-yl)-2H-pyrido[3,4-b]indol-7-one;9-(1-morpholin-4-ylpropan-2-yl)-1-(trifluoromethyl)-2H-pyrido[3,4-b]indol-7-one
• SMILES: CC(CN1CCOCC1)n1c2cc(=O)ccc2c2cc[nH]c(C(F)(F)F)c21.COc1ccc2c3ccnc(C(F)(F)F)c3n(C(C)CN3CCOCC3)c2c1.COc1ccc2c3ccnc(C)c3n(C(C)CN3CCOCC3)c2c1.Cc1[nH]ccc2c3ccc(=O)cc3n(C(C)CN3CCOCC3)c12
• InChI: InChI=1S/C20H22F3N3O2.C20H25N3O2.C19H20F3N3O2.C19H23N3O2/c1-13(12-25-7-9-28-10-8-25)26-17-11-14(27-2)3-4-15(17)16-5-6-24-19(18(16)26)20(21,22)23;1-14(13-22-8-10-25-11-9-22)23-19-12-16(24-3)4-5-17(19)18-6-7-21-15(2)20(18)23;1-12(11-24-6-8-27-9-7-24)25-16-10-13(26)2-3-14(16)15-4-5-23-18(17(15)25)19(20,21)22;1-13(12-21-7-9-24-10-8-21)22-18-11-15(23)3-4-16(18)17-5-6-20-14(2)19(17)22/h3-6,11,13H,7-10,12H2,1-2H3;4-7,12,14H,8-11,13H2,1-3H3;2-5,10,12,23H,6-9,11H2,1H3;3-6,11,13,20H,7-10,12H2,1-2H3
• InChIKey: VJYPGJIBOWXTKI-UHFFFAOYSA-N
• XLogP: 13.59
• TPSA: 179.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 14
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1437.64
LogP ≤ 5	13.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 4-[2-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)propyl]morpholine;4-[2-[7-methoxy-1-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]propyl]morpholine;1-methyl-9-(1-morpholin-4-ylpropan-2-yl)-2H-pyrido[3,4-b]indol-7-one;9-(1-morpholin-4-ylpropan-2-yl)-1-(trifluoromethyl)-2H-pyrido[3,4-b]indol-7-one?

The IUPAC name of 4-[2-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)propyl]morpholine;4-[2-[7-methoxy-1-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]propyl]morpholine;1-methyl-9-(1-morpholin-4-ylpropan-2-yl)-2H-pyrido[3,4-b]indol-7-one;9-(1-morpholin-4-ylpropan-2-yl)-1-(trifluoromethyl)-2H-pyrido[3,4-b]indol-7-one (CID 160635246) is 4-[2-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)propyl]morpholine;4-[2-[7-methoxy-1-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]propyl]morpholine;1-methyl-9-(1-morpholin-4-ylpropan-2-yl)-2H-pyrido[3,4-b]indol-7-one;9-(1-morpholin-4-ylpropan-2-yl)-1-(trifluoromethyl)-2H-pyrido[3,4-b]indol-7-one.

What is the SMILES notation for 4-[2-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)propyl]morpholine;4-[2-[7-methoxy-1-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]propyl]morpholine;1-methyl-9-(1-morpholin-4-ylpropan-2-yl)-2H-pyrido[3,4-b]indol-7-one;9-(1-morpholin-4-ylpropan-2-yl)-1-(trifluoromethyl)-2H-pyrido[3,4-b]indol-7-one?

The canonical SMILES for 4-[2-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)propyl]morpholine;4-[2-[7-methoxy-1-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]propyl]morpholine;1-methyl-9-(1-morpholin-4-ylpropan-2-yl)-2H-pyrido[3,4-b]indol-7-one;9-(1-morpholin-4-ylpropan-2-yl)-1-(trifluoromethyl)-2H-pyrido[3,4-b]indol-7-one is CC(CN1CCOCC1)n1c2cc(=O)ccc2c2cc[nH]c(C(F)(F)F)c21.COc1ccc2c3ccnc(C(F)(F)F)c3n(C(C)CN3CCOCC3)c2c1.COc1ccc2c3ccnc(C)c3n(C(C)CN3CCOCC3)c2c1.Cc1[nH]ccc2c3ccc(=O)cc3n(C(C)CN3CCOCC3)c12.

What is the InChIKey of 4-[2-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)propyl]morpholine;4-[2-[7-methoxy-1-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]propyl]morpholine;1-methyl-9-(1-morpholin-4-ylpropan-2-yl)-2H-pyrido[3,4-b]indol-7-one;9-(1-morpholin-4-ylpropan-2-yl)-1-(trifluoromethyl)-2H-pyrido[3,4-b]indol-7-one?

The InChIKey is VJYPGJIBOWXTKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O2.C20H25N3O2.C19H20F3N3O2.C19H23N3O2/c1-13(12-25-7-9-28-10-8-25)26-17-11-14(27-2)3-4-15(17)16-5-6-24-19(18(16)26)20(21,22)23;1-14(13-22-8-10-25-11-9-22)23-19-12-16(24-3)4-5-17(19)18-6-7-21-15(2)20(18)23;1-12(11-24-6-8-27-9-7-24)25-16-10-13(26)2-3-14(16)15-4-5-23-18(17(15)25)19(20,21)22;1-13(12-21-7-9-24-10-8-21)22-18-11-15(23)3-4-16(18)17-5-6-20-14(2)19(17)22/h3-6,11,13H,7-10,12H2,1-2H3;4-7,12,14H,8-11,13H2,1-3H3;2-5,10,12,23H,6-9,11H2,1H3;3-6,11,13,20H,7-10,12H2,1-2H3.

What are the key properties of 4-[2-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)propyl]morpholine;4-[2-[7-methoxy-1-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]propyl]morpholine;1-methyl-9-(1-morpholin-4-ylpropan-2-yl)-2H-pyrido[3,4-b]indol-7-one;9-(1-morpholin-4-ylpropan-2-yl)-1-(trifluoromethyl)-2H-pyrido[3,4-b]indol-7-one?

4-[2-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)propyl]morpholine;4-[2-[7-methoxy-1-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]propyl]morpholine;1-methyl-9-(1-morpholin-4-ylpropan-2-yl)-2H-pyrido[3,4-b]indol-7-one;9-(1-morpholin-4-ylpropan-2-yl)-1-(trifluoromethyl)-2H-pyrido[3,4-b]indol-7-one has a molecular weight of 1437.64 g/mol, XLogP of 13.59, 14 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)propyl]morpholine;4-[2-[7-methoxy-1-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]propyl]morpholine;1-methyl-9-(1-morpholin-4-ylpropan-2-yl)-2H-pyrido[3,4-b]indol-7-one;9-(1-morpholin-4-ylpropan-2-yl)-1-(trifluoromethyl)-2H-pyrido[3,4-b]indol-7-one is sourced from PubChem (CID 160635246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).