3,3-dimethylmorpholine;(3,3-dimethylmorpholin-4-yl)-[8-(2-methylpropyl)-1-thiophen-3-yl-7-(trideuteriomethoxy)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone;methane;8-(2-methylpropyl)-1-thiophen-3-yl-7-(trideuteriomethoxy)-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxylic acid

C55H72N6O7S2 — CID 159032767

IUPAC3,3-dimethylmorpholine;(3,3-dimethylmorpholin-4-yl)-[8-(2-methylpropyl)-1-thiophen-3-yl-7-(trideuteriomethoxy)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone;methane;8-(2-methylpropyl)-1-thiophen-3-yl-7-(trideuteriomethoxy)-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxylic acid
SMILESC.CC1(C)COCCN1.[2H]C([2H])([2H])Oc1cc2c(cc1CC(C)C)-n1c(-c3ccsc3)nc(C(=O)N3CCOCC3(C)C)c1CC2.[2H]C([2H])([2H])Oc1cc2c(cc1CC(C)C)-n1c(-c3ccsc3)nc(C(=O)O)c1CC2
InChIInChI=1S/C27H33N3O3S.C21H22N2O3S.C6H13NO.CH4/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;1-12(2)8-15-9-17-13(10-18(15)26-3)4-5-16-19(21(24)25)22-20(23(16)17)14-6-7-27-11-14;1-6(2)5-8-4-3-7-6;/h8,11,13-15,17H,6-7,9-10,12,16H2,1-5H3;6-7,9-12H,4-5,8H2,1-3H3,(H,24,25);7H,3-5H2,1-2H3;1H4/i5D3;3D3;;
InChIKeyJVBUSVLQUVRBTR-PLFHSWHTSA-N
MW999.39 g/mol
LogP10.78
Rot. Bonds12

About 3,3-dimethylmorpholine;(3,3-dimethylmorpholin-4-yl)-[8-(2-methylpropyl)-1-thiophen-3-yl-7-(trideuteriomethoxy)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone;methane;8-(2-methylpropyl)-1-thiophen-3-yl-7-(trideuteriomethoxy)-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxylic acid

3,3-dimethylmorpholine;(3,3-dimethylmorpholin-4-yl)-[8-(2-methylpropyl)-1-thiophen-3-yl-7-(trideuteriomethoxy)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone;methane;8-(2-methylpropyl)-1-thiophen-3-yl-7-(trideuteriomethoxy)-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxylic acid (PubChem CID 159032767) has the molecular formula C55H72N6O7S2 and a molecular weight of 999.39 g/mol. Its IUPAC name is 3,3-dimethylmorpholine;(3,3-dimethylmorpholin-4-yl)-[8-(2-methylpropyl)-1-thiophen-3-yl-7-(trideuteriomethoxy)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone;methane;8-(2-methylpropyl)-1-thiophen-3-yl-7-(trideuteriomethoxy)-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxylic acid.

Molecular Properties

Compound Name3,3-dimethylmorpholine;(3,3-dimethylmorpholin-4-yl)-[8-(2-methylpropyl)-1-thiophen-3-yl-7-(trideuteriomethoxy)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone;methane;8-(2-methylpropyl)-1-thiophen-3-yl-7-(trideuteriomethoxy)-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxylic acid
PubChem CID159032767
Molecular FormulaC55H72N6O7S2
Molecular Weight999.39 g/mol
Exact Mass998.53
IUPAC Name3,3-dimethylmorpholine;(3,3-dimethylmorpholin-4-yl)-[8-(2-methylpropyl)-1-thiophen-3-yl-7-(trideuteriomethoxy)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone;methane;8-(2-methylpropyl)-1-thiophen-3-yl-7-(trideuteriomethoxy)-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxylic acid
SMILESC.CC1(C)COCCN1.[2H]C([2H])([2H])Oc1cc2c(cc1CC(C)C)-n1c(-c3ccsc3)nc(C(=O)N3CCOCC3(C)C)c1CC2.[2H]C([2H])([2H])Oc1cc2c(cc1CC(C)C)-n1c(-c3ccsc3)nc(C(=O)O)c1CC2
InChIInChI=1S/C27H33N3O3S.C21H22N2O3S.C6H13NO.CH4/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;1-12(2)8-15-9-17-13(10-18(15)26-3)4-5-16-19(21(24)25)22-20(23(16)17)14-6-7-27-11-14;1-6(2)5-8-4-3-7-6;/h8,11,13-15,17H,6-7,9-10,12,16H2,1-5H3;6-7,9-12H,4-5,8H2,1-3H3,(H,24,25);7H,3-5H2,1-2H3;1H4/i5D3;3D3;;
InChIKeyJVBUSVLQUVRBTR-PLFHSWHTSA-N
XLogP10.78
TPSA142.20 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds12
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500999.39
LogP ≤ 510.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Analyze 3,3-dimethylmorpholine;(3,3-dimethylmorpholin-4-yl)-[8-(2-methylpropyl)-1-thiophen-3-yl-7-(trideuteriomethoxy)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone;methane;8-(2-methylpropyl)-1-thiophen-3-yl-7-(trideuteriomethoxy)-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylmorpholine;(3,3-dimethylmorpholin-4-yl)-[8-(2-methylpropyl)-1-thiophen-3-yl-7-(trideuteriomethoxy)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone;methane;8-(2-methylpropyl)-1-thiophen-3-yl-7-(trideuteriomethoxy)-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxylic acid?
The IUPAC name of 3,3-dimethylmorpholine;(3,3-dimethylmorpholin-4-yl)-[8-(2-methylpropyl)-1-thiophen-3-yl-7-(trideuteriomethoxy)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone;methane;8-(2-methylpropyl)-1-thiophen-3-yl-7-(trideuteriomethoxy)-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxylic acid (CID 159032767) is 3,3-dimethylmorpholine;(3,3-dimethylmorpholin-4-yl)-[8-(2-methylpropyl)-1-thiophen-3-yl-7-(trideuteriomethoxy)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone;methane;8-(2-methylpropyl)-1-thiophen-3-yl-7-(trideuteriomethoxy)-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxylic acid.
What is the SMILES notation for 3,3-dimethylmorpholine;(3,3-dimethylmorpholin-4-yl)-[8-(2-methylpropyl)-1-thiophen-3-yl-7-(trideuteriomethoxy)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone;methane;8-(2-methylpropyl)-1-thiophen-3-yl-7-(trideuteriomethoxy)-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxylic acid?
The canonical SMILES for 3,3-dimethylmorpholine;(3,3-dimethylmorpholin-4-yl)-[8-(2-methylpropyl)-1-thiophen-3-yl-7-(trideuteriomethoxy)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone;methane;8-(2-methylpropyl)-1-thiophen-3-yl-7-(trideuteriomethoxy)-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxylic acid is C.CC1(C)COCCN1.[2H]C([2H])([2H])Oc1cc2c(cc1CC(C)C)-n1c(-c3ccsc3)nc(C(=O)N3CCOCC3(C)C)c1CC2.[2H]C([2H])([2H])Oc1cc2c(cc1CC(C)C)-n1c(-c3ccsc3)nc(C(=O)O)c1CC2.
What is the InChIKey of 3,3-dimethylmorpholine;(3,3-dimethylmorpholin-4-yl)-[8-(2-methylpropyl)-1-thiophen-3-yl-7-(trideuteriomethoxy)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone;methane;8-(2-methylpropyl)-1-thiophen-3-yl-7-(trideuteriomethoxy)-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxylic acid?
The InChIKey is JVBUSVLQUVRBTR-PLFHSWHTSA-N. The full InChI is InChI=1S/C27H33N3O3S.C21H22N2O3S.C6H13NO.CH4/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;1-12(2)8-15-9-17-13(10-18(15)26-3)4-5-16-19(21(24)25)22-20(23(16)17)14-6-7-27-11-14;1-6(2)5-8-4-3-7-6;/h8,11,13-15,17H,6-7,9-10,12,16H2,1-5H3;6-7,9-12H,4-5,8H2,1-3H3,(H,24,25);7H,3-5H2,1-2H3;1H4/i5D3;3D3;;.
What are the key properties of 3,3-dimethylmorpholine;(3,3-dimethylmorpholin-4-yl)-[8-(2-methylpropyl)-1-thiophen-3-yl-7-(trideuteriomethoxy)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone;methane;8-(2-methylpropyl)-1-thiophen-3-yl-7-(trideuteriomethoxy)-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxylic acid?
3,3-dimethylmorpholine;(3,3-dimethylmorpholin-4-yl)-[8-(2-methylpropyl)-1-thiophen-3-yl-7-(trideuteriomethoxy)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone;methane;8-(2-methylpropyl)-1-thiophen-3-yl-7-(trideuteriomethoxy)-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxylic acid has a molecular weight of 999.39 g/mol, XLogP of 10.78, 12 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylmorpholine;(3,3-dimethylmorpholin-4-yl)-[8-(2-methylpropyl)-1-thiophen-3-yl-7-(trideuteriomethoxy)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone;methane;8-(2-methylpropyl)-1-thiophen-3-yl-7-(trideuteriomethoxy)-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxylic acid is sourced from PubChem (CID 159032767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).