(3,3-dimethylmorpholin-4-yl)-[8-(2-methylpropyl)-1-thiophen-3-yl-7-(trideuteriomethoxy)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone

C27H33N3O3S — CID 87056917

About (3,3-dimethylmorpholin-4-yl)-[8-(2-methylpropyl)-1-thiophen-3-yl-7-(trideuteriomethoxy)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone

(3,3-dimethylmorpholin-4-yl)-[8-(2-methylpropyl)-1-thiophen-3-yl-7-(trideuteriomethoxy)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone (PubChem CID 87056917) has the molecular formula C27H33N3O3S and a molecular weight of 482.66 g/mol. Its IUPAC name is (3,3-dimethylmorpholin-4-yl)-[8-(2-methylpropyl)-1-thiophen-3-yl-7-(trideuteriomethoxy)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone.

Molecular Properties

• Compound Name: (3,3-dimethylmorpholin-4-yl)-[8-(2-methylpropyl)-1-thiophen-3-yl-7-(trideuteriomethoxy)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone
• PubChem CID: 87056917
• Molecular Formula: C27H33N3O3S
• Molecular Weight: 482.66 g/mol
• Exact Mass: 482.24
• IUPAC Name: (3,3-dimethylmorpholin-4-yl)-[8-(2-methylpropyl)-1-thiophen-3-yl-7-(trideuteriomethoxy)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone
• SMILES: [2H]C([2H])([2H])Oc1cc2c(cc1CC(C)C)-n1c(-c3ccsc3)nc(C(=O)N3CCOCC3(C)C)c1CC2
• InChI: InChI=1S/C27H33N3O3S/c1-17(2)12-20-13-22-18(14-23(20)32-5)6-7-21-24(26(31)29-9-10-33-16-27(29,3)4)28-25(30(21)22)19-8-11-34-15-19/h8,11,13-15,17H,6-7,9-10,12,16H2,1-5H3/i5D3
• InChIKey: YZDVAFNBIQMFCI-VPYROQPTSA-N
• XLogP: 5.16
• TPSA: 56.59 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.66
LogP ≤ 5	5.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (3,3-dimethylmorpholin-4-yl)-[8-(2-methylpropyl)-1-thiophen-3-yl-7-(trideuteriomethoxy)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone?

The IUPAC name of (3,3-dimethylmorpholin-4-yl)-[8-(2-methylpropyl)-1-thiophen-3-yl-7-(trideuteriomethoxy)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone (CID 87056917) is (3,3-dimethylmorpholin-4-yl)-[8-(2-methylpropyl)-1-thiophen-3-yl-7-(trideuteriomethoxy)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone.

What is the SMILES notation for (3,3-dimethylmorpholin-4-yl)-[8-(2-methylpropyl)-1-thiophen-3-yl-7-(trideuteriomethoxy)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone?

The canonical SMILES for (3,3-dimethylmorpholin-4-yl)-[8-(2-methylpropyl)-1-thiophen-3-yl-7-(trideuteriomethoxy)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone is [2H]C([2H])([2H])Oc1cc2c(cc1CC(C)C)-n1c(-c3ccsc3)nc(C(=O)N3CCOCC3(C)C)c1CC2.

What is the InChIKey of (3,3-dimethylmorpholin-4-yl)-[8-(2-methylpropyl)-1-thiophen-3-yl-7-(trideuteriomethoxy)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone?

The InChIKey is YZDVAFNBIQMFCI-VPYROQPTSA-N. The full InChI is InChI=1S/C27H33N3O3S/c1-17(2)12-20-13-22-18(14-23(20)32-5)6-7-21-24(26(31)29-9-10-33-16-27(29,3)4)28-25(30(21)22)19-8-11-34-15-19/h8,11,13-15,17H,6-7,9-10,12,16H2,1-5H3/i5D3.

What are the key properties of (3,3-dimethylmorpholin-4-yl)-[8-(2-methylpropyl)-1-thiophen-3-yl-7-(trideuteriomethoxy)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone?

(3,3-dimethylmorpholin-4-yl)-[8-(2-methylpropyl)-1-thiophen-3-yl-7-(trideuteriomethoxy)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone has a molecular weight of 482.66 g/mol, XLogP of 5.16, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3,3-dimethylmorpholin-4-yl)-[8-(2-methylpropyl)-1-thiophen-3-yl-7-(trideuteriomethoxy)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone is sourced from PubChem (CID 87056917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).