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

C78H90F6N12O8 — CID 157437298

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

4-[3-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)propyl]morpholine;4-[3-[7-methoxy-1-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]propyl]morpholine;1-methyl-9-(3-morpholin-4-ylpropyl)-2H-pyrido[3,4-b]indol-7-one;9-(3-morpholin-4-ylpropyl)-1-(trifluoromethyl)-2H-pyrido[3,4-b]indol-7-one (PubChem CID 157437298) has the molecular formula C78H90F6N12O8 and a molecular weight of 1437.64 g/mol. Its IUPAC name is 4-[3-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)propyl]morpholine;4-[3-[7-methoxy-1-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]propyl]morpholine;1-methyl-9-(3-morpholin-4-ylpropyl)-2H-pyrido[3,4-b]indol-7-one;9-(3-morpholin-4-ylpropyl)-1-(trifluoromethyl)-2H-pyrido[3,4-b]indol-7-one.

Molecular Properties

• Compound Name: 4-[3-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)propyl]morpholine;4-[3-[7-methoxy-1-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]propyl]morpholine;1-methyl-9-(3-morpholin-4-ylpropyl)-2H-pyrido[3,4-b]indol-7-one;9-(3-morpholin-4-ylpropyl)-1-(trifluoromethyl)-2H-pyrido[3,4-b]indol-7-one
• PubChem CID: 157437298
• Molecular Formula: C78H90F6N12O8
• Molecular Weight: 1437.64 g/mol
• Exact Mass: 1436.69
• IUPAC Name: 4-[3-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)propyl]morpholine;4-[3-[7-methoxy-1-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]propyl]morpholine;1-methyl-9-(3-morpholin-4-ylpropyl)-2H-pyrido[3,4-b]indol-7-one;9-(3-morpholin-4-ylpropyl)-1-(trifluoromethyl)-2H-pyrido[3,4-b]indol-7-one
• SMILES: COc1ccc2c3ccnc(C(F)(F)F)c3n(CCCN3CCOCC3)c2c1.COc1ccc2c3ccnc(C)c3n(CCCN3CCOCC3)c2c1.Cc1[nH]ccc2c3ccc(=O)cc3n(CCCN3CCOCC3)c12.O=c1ccc2c3cc[nH]c(C(F)(F)F)c3n(CCCN3CCOCC3)c2c1
• InChI: InChI=1S/C20H22F3N3O2.C20H25N3O2.C19H20F3N3O2.C19H23N3O2/c1-27-14-3-4-15-16-5-6-24-19(20(21,22)23)18(16)26(17(15)13-14)8-2-7-25-9-11-28-12-10-25;1-15-20-18(6-7-21-15)17-5-4-16(24-2)14-19(17)23(20)9-3-8-22-10-12-25-13-11-22;20-19(21,22)18-17-15(4-5-23-18)14-3-2-13(26)12-16(14)25(17)7-1-6-24-8-10-27-11-9-24;1-14-19-17(5-6-20-14)16-4-3-15(23)13-18(16)22(19)8-2-7-21-9-11-24-12-10-21/h3-6,13H,2,7-12H2,1H3;4-7,14H,3,8-13H2,1-2H3;2-5,12,23H,1,6-11H2;3-6,13,20H,2,7-12H2,1H3
• InChIKey: FCRJRBHXTYKRFB-UHFFFAOYSA-N
• XLogP: 12.91
• TPSA: 179.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 18
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1437.64
LogP ≤ 5	12.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

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

The IUPAC name of 4-[3-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)propyl]morpholine;4-[3-[7-methoxy-1-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]propyl]morpholine;1-methyl-9-(3-morpholin-4-ylpropyl)-2H-pyrido[3,4-b]indol-7-one;9-(3-morpholin-4-ylpropyl)-1-(trifluoromethyl)-2H-pyrido[3,4-b]indol-7-one (CID 157437298) is 4-[3-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)propyl]morpholine;4-[3-[7-methoxy-1-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]propyl]morpholine;1-methyl-9-(3-morpholin-4-ylpropyl)-2H-pyrido[3,4-b]indol-7-one;9-(3-morpholin-4-ylpropyl)-1-(trifluoromethyl)-2H-pyrido[3,4-b]indol-7-one.

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

The canonical SMILES for 4-[3-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)propyl]morpholine;4-[3-[7-methoxy-1-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]propyl]morpholine;1-methyl-9-(3-morpholin-4-ylpropyl)-2H-pyrido[3,4-b]indol-7-one;9-(3-morpholin-4-ylpropyl)-1-(trifluoromethyl)-2H-pyrido[3,4-b]indol-7-one is COc1ccc2c3ccnc(C(F)(F)F)c3n(CCCN3CCOCC3)c2c1.COc1ccc2c3ccnc(C)c3n(CCCN3CCOCC3)c2c1.Cc1[nH]ccc2c3ccc(=O)cc3n(CCCN3CCOCC3)c12.O=c1ccc2c3cc[nH]c(C(F)(F)F)c3n(CCCN3CCOCC3)c2c1.

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

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

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

4-[3-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)propyl]morpholine;4-[3-[7-methoxy-1-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]propyl]morpholine;1-methyl-9-(3-morpholin-4-ylpropyl)-2H-pyrido[3,4-b]indol-7-one;9-(3-morpholin-4-ylpropyl)-1-(trifluoromethyl)-2H-pyrido[3,4-b]indol-7-one has a molecular weight of 1437.64 g/mol, XLogP of 12.91, 18 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)propyl]morpholine;4-[3-[7-methoxy-1-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]propyl]morpholine;1-methyl-9-(3-morpholin-4-ylpropyl)-2H-pyrido[3,4-b]indol-7-one;9-(3-morpholin-4-ylpropyl)-1-(trifluoromethyl)-2H-pyrido[3,4-b]indol-7-one is sourced from PubChem (CID 157437298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).