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

C26H31N3O3S — CID 121363239

IUPAC[7-methoxy-8-(2-methylpropyl)-1-thiophen-2-yl-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]-[3-(trideuteriomethoxy)pyrrolidin-1-yl]methanone
SMILES[2H]C([2H])([2H])OC1CCN(C(=O)c2nc(-c3cccs3)n3c2CCc2cc(OC)c(CC(C)C)cc2-3)C1
InChIInChI=1S/C26H31N3O3S/c1-16(2)12-18-13-21-17(14-22(18)32-4)7-8-20-24(26(30)28-10-9-19(15-28)31-3)27-25(29(20)21)23-6-5-11-33-23/h5-6,11,13-14,16,19H,7-10,12,15H2,1-4H3/i3D3
InChIKeyHVAMIQKWNORIFU-HPRDVNIFSA-N
MW468.64 g/mol
LogP4.77
Rot. Bonds7

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

[7-methoxy-8-(2-methylpropyl)-1-thiophen-2-yl-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]-[3-(trideuteriomethoxy)pyrrolidin-1-yl]methanone (PubChem CID 121363239) has the molecular formula C26H31N3O3S and a molecular weight of 468.64 g/mol. Its IUPAC name is [7-methoxy-8-(2-methylpropyl)-1-thiophen-2-yl-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]-[3-(trideuteriomethoxy)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[7-methoxy-8-(2-methylpropyl)-1-thiophen-2-yl-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]-[3-(trideuteriomethoxy)pyrrolidin-1-yl]methanone
PubChem CID121363239
Molecular FormulaC26H31N3O3S
Molecular Weight468.64 g/mol
Exact Mass468.23
IUPAC Name[7-methoxy-8-(2-methylpropyl)-1-thiophen-2-yl-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]-[3-(trideuteriomethoxy)pyrrolidin-1-yl]methanone
SMILES[2H]C([2H])([2H])OC1CCN(C(=O)c2nc(-c3cccs3)n3c2CCc2cc(OC)c(CC(C)C)cc2-3)C1
InChIInChI=1S/C26H31N3O3S/c1-16(2)12-18-13-21-17(14-22(18)32-4)7-8-20-24(26(30)28-10-9-19(15-28)31-3)27-25(29(20)21)23-6-5-11-33-23/h5-6,11,13-14,16,19H,7-10,12,15H2,1-4H3/i3D3
InChIKeyHVAMIQKWNORIFU-HPRDVNIFSA-N
XLogP4.77
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.64
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [7-methoxy-8-(2-methylpropyl)-1-thiophen-2-yl-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]-[3-(trideuteriomethoxy)pyrrolidin-1-yl]methanone?
The IUPAC name of [7-methoxy-8-(2-methylpropyl)-1-thiophen-2-yl-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]-[3-(trideuteriomethoxy)pyrrolidin-1-yl]methanone (CID 121363239) is [7-methoxy-8-(2-methylpropyl)-1-thiophen-2-yl-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]-[3-(trideuteriomethoxy)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [7-methoxy-8-(2-methylpropyl)-1-thiophen-2-yl-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]-[3-(trideuteriomethoxy)pyrrolidin-1-yl]methanone?
The canonical SMILES for [7-methoxy-8-(2-methylpropyl)-1-thiophen-2-yl-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]-[3-(trideuteriomethoxy)pyrrolidin-1-yl]methanone is [2H]C([2H])([2H])OC1CCN(C(=O)c2nc(-c3cccs3)n3c2CCc2cc(OC)c(CC(C)C)cc2-3)C1.
What is the InChIKey of [7-methoxy-8-(2-methylpropyl)-1-thiophen-2-yl-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]-[3-(trideuteriomethoxy)pyrrolidin-1-yl]methanone?
The InChIKey is HVAMIQKWNORIFU-HPRDVNIFSA-N. The full InChI is InChI=1S/C26H31N3O3S/c1-16(2)12-18-13-21-17(14-22(18)32-4)7-8-20-24(26(30)28-10-9-19(15-28)31-3)27-25(29(20)21)23-6-5-11-33-23/h5-6,11,13-14,16,19H,7-10,12,15H2,1-4H3/i3D3.
What are the key properties of [7-methoxy-8-(2-methylpropyl)-1-thiophen-2-yl-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]-[3-(trideuteriomethoxy)pyrrolidin-1-yl]methanone?
[7-methoxy-8-(2-methylpropyl)-1-thiophen-2-yl-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]-[3-(trideuteriomethoxy)pyrrolidin-1-yl]methanone has a molecular weight of 468.64 g/mol, XLogP of 4.77, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [7-methoxy-8-(2-methylpropyl)-1-thiophen-2-yl-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]-[3-(trideuteriomethoxy)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 121363239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).