[3-(3,3-dimethylmorpholine-4-carbonyl)-7-methoxy-1-(1-methylpyrrol-3-yl)-4,5-dihydroimidazo[1,5-a]quinolin-8-yl] trifluoromethanesulfonate;(3,3-dimethylmorpholin-4-yl)-[8-hydroxy-7-methoxy-1-(1-methylpyrrol-3-yl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone;trifluoromethylsulfonyl trifluoromethanesulfonate

C51H55F9N8O15S3 — CID 159939780

About [3-(3,3-dimethylmorpholine-4-carbonyl)-7-methoxy-1-(1-methylpyrrol-3-yl)-4,5-dihydroimidazo[1,5-a]quinolin-8-yl] trifluoromethanesulfonate;(3,3-dimethylmorpholin-4-yl)-[8-hydroxy-7-methoxy-1-(1-methylpyrrol-3-yl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone;trifluoromethylsulfonyl trifluoromethanesulfonate

[3-(3,3-dimethylmorpholine-4-carbonyl)-7-methoxy-1-(1-methylpyrrol-3-yl)-4,5-dihydroimidazo[1,5-a]quinolin-8-yl] trifluoromethanesulfonate;(3,3-dimethylmorpholin-4-yl)-[8-hydroxy-7-methoxy-1-(1-methylpyrrol-3-yl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone;trifluoromethylsulfonyl trifluoromethanesulfonate (PubChem CID 159939780) has the molecular formula C51H55F9N8O15S3 and a molecular weight of 1287.22 g/mol. Its IUPAC name is [3-(3,3-dimethylmorpholine-4-carbonyl)-7-methoxy-1-(1-methylpyrrol-3-yl)-4,5-dihydroimidazo[1,5-a]quinolin-8-yl] trifluoromethanesulfonate;(3,3-dimethylmorpholin-4-yl)-[8-hydroxy-7-methoxy-1-(1-methylpyrrol-3-yl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone;trifluoromethylsulfonyl trifluoromethanesulfonate.

Molecular Properties

• Compound Name: [3-(3,3-dimethylmorpholine-4-carbonyl)-7-methoxy-1-(1-methylpyrrol-3-yl)-4,5-dihydroimidazo[1,5-a]quinolin-8-yl] trifluoromethanesulfonate;(3,3-dimethylmorpholin-4-yl)-[8-hydroxy-7-methoxy-1-(1-methylpyrrol-3-yl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone;trifluoromethylsulfonyl trifluoromethanesulfonate
• PubChem CID: 159939780
• Molecular Formula: C51H55F9N8O15S3
• Molecular Weight: 1287.22 g/mol
• Exact Mass: 1286.28
• IUPAC Name: [3-(3,3-dimethylmorpholine-4-carbonyl)-7-methoxy-1-(1-methylpyrrol-3-yl)-4,5-dihydroimidazo[1,5-a]quinolin-8-yl] trifluoromethanesulfonate;(3,3-dimethylmorpholin-4-yl)-[8-hydroxy-7-methoxy-1-(1-methylpyrrol-3-yl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone;trifluoromethylsulfonyl trifluoromethanesulfonate
• SMILES: COc1cc2c(cc1O)-n1c(-c3ccn(C)c3)nc(C(=O)N3CCOCC3(C)C)c1CC2.COc1cc2c(cc1OS(=O)(=O)C(F)(F)F)-n1c(-c3ccn(C)c3)nc(C(=O)N3CCOCC3(C)C)c1CC2.O=S(=O)(OS(=O)(=O)C(F)(F)F)C(F)(F)F
• InChI: InChI=1S/C25H27F3N4O6S.C24H28N4O4.C2F6O5S2/c1-24(2)14-37-10-9-31(24)23(33)21-17-6-5-15-11-19(36-4)20(38-39(34,35)25(26,27)28)12-18(15)32(17)22(29-21)16-7-8-30(3)13-16;1-24(2)14-32-10-9-27(24)23(30)21-17-6-5-15-11-20(31-4)19(29)12-18(15)28(17)22(25-21)16-7-8-26(3)13-16;3-1(4,5)14(9,10)13-15(11,12)2(6,7)8/h7-8,11-13H,5-6,9-10,14H2,1-4H3;7-8,11-13,29H,5-6,9-10,14H2,1-4H3
• InChIKey: OASMFQRQPVAHSB-UHFFFAOYSA-N
• XLogP: 7.11
• TPSA: 264.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 21
• Rotatable Bonds: 10
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1287.22
LogP ≤ 5	7.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [3-(3,3-dimethylmorpholine-4-carbonyl)-7-methoxy-1-(1-methylpyrrol-3-yl)-4,5-dihydroimidazo[1,5-a]quinolin-8-yl] trifluoromethanesulfonate;(3,3-dimethylmorpholin-4-yl)-[8-hydroxy-7-methoxy-1-(1-methylpyrrol-3-yl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone;trifluoromethylsulfonyl trifluoromethanesulfonate?

The IUPAC name of [3-(3,3-dimethylmorpholine-4-carbonyl)-7-methoxy-1-(1-methylpyrrol-3-yl)-4,5-dihydroimidazo[1,5-a]quinolin-8-yl] trifluoromethanesulfonate;(3,3-dimethylmorpholin-4-yl)-[8-hydroxy-7-methoxy-1-(1-methylpyrrol-3-yl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone;trifluoromethylsulfonyl trifluoromethanesulfonate (CID 159939780) is [3-(3,3-dimethylmorpholine-4-carbonyl)-7-methoxy-1-(1-methylpyrrol-3-yl)-4,5-dihydroimidazo[1,5-a]quinolin-8-yl] trifluoromethanesulfonate;(3,3-dimethylmorpholin-4-yl)-[8-hydroxy-7-methoxy-1-(1-methylpyrrol-3-yl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone;trifluoromethylsulfonyl trifluoromethanesulfonate.

What is the SMILES notation for [3-(3,3-dimethylmorpholine-4-carbonyl)-7-methoxy-1-(1-methylpyrrol-3-yl)-4,5-dihydroimidazo[1,5-a]quinolin-8-yl] trifluoromethanesulfonate;(3,3-dimethylmorpholin-4-yl)-[8-hydroxy-7-methoxy-1-(1-methylpyrrol-3-yl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone;trifluoromethylsulfonyl trifluoromethanesulfonate?

The canonical SMILES for [3-(3,3-dimethylmorpholine-4-carbonyl)-7-methoxy-1-(1-methylpyrrol-3-yl)-4,5-dihydroimidazo[1,5-a]quinolin-8-yl] trifluoromethanesulfonate;(3,3-dimethylmorpholin-4-yl)-[8-hydroxy-7-methoxy-1-(1-methylpyrrol-3-yl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone;trifluoromethylsulfonyl trifluoromethanesulfonate is COc1cc2c(cc1O)-n1c(-c3ccn(C)c3)nc(C(=O)N3CCOCC3(C)C)c1CC2.COc1cc2c(cc1OS(=O)(=O)C(F)(F)F)-n1c(-c3ccn(C)c3)nc(C(=O)N3CCOCC3(C)C)c1CC2.O=S(=O)(OS(=O)(=O)C(F)(F)F)C(F)(F)F.

What is the InChIKey of [3-(3,3-dimethylmorpholine-4-carbonyl)-7-methoxy-1-(1-methylpyrrol-3-yl)-4,5-dihydroimidazo[1,5-a]quinolin-8-yl] trifluoromethanesulfonate;(3,3-dimethylmorpholin-4-yl)-[8-hydroxy-7-methoxy-1-(1-methylpyrrol-3-yl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone;trifluoromethylsulfonyl trifluoromethanesulfonate?

The InChIKey is OASMFQRQPVAHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F3N4O6S.C24H28N4O4.C2F6O5S2/c1-24(2)14-37-10-9-31(24)23(33)21-17-6-5-15-11-19(36-4)20(38-39(34,35)25(26,27)28)12-18(15)32(17)22(29-21)16-7-8-30(3)13-16;1-24(2)14-32-10-9-27(24)23(30)21-17-6-5-15-11-20(31-4)19(29)12-18(15)28(17)22(25-21)16-7-8-26(3)13-16;3-1(4,5)14(9,10)13-15(11,12)2(6,7)8/h7-8,11-13H,5-6,9-10,14H2,1-4H3;7-8,11-13,29H,5-6,9-10,14H2,1-4H3;.

What are the key properties of [3-(3,3-dimethylmorpholine-4-carbonyl)-7-methoxy-1-(1-methylpyrrol-3-yl)-4,5-dihydroimidazo[1,5-a]quinolin-8-yl] trifluoromethanesulfonate;(3,3-dimethylmorpholin-4-yl)-[8-hydroxy-7-methoxy-1-(1-methylpyrrol-3-yl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone;trifluoromethylsulfonyl trifluoromethanesulfonate?

[3-(3,3-dimethylmorpholine-4-carbonyl)-7-methoxy-1-(1-methylpyrrol-3-yl)-4,5-dihydroimidazo[1,5-a]quinolin-8-yl] trifluoromethanesulfonate;(3,3-dimethylmorpholin-4-yl)-[8-hydroxy-7-methoxy-1-(1-methylpyrrol-3-yl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone;trifluoromethylsulfonyl trifluoromethanesulfonate has a molecular weight of 1287.22 g/mol, XLogP of 7.11, 10 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(3,3-dimethylmorpholine-4-carbonyl)-7-methoxy-1-(1-methylpyrrol-3-yl)-4,5-dihydroimidazo[1,5-a]quinolin-8-yl] trifluoromethanesulfonate;(3,3-dimethylmorpholin-4-yl)-[8-hydroxy-7-methoxy-1-(1-methylpyrrol-3-yl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone;trifluoromethylsulfonyl trifluoromethanesulfonate is sourced from PubChem (CID 159939780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).