8-methoxy-9-(2-methylpropyl)-1-thiophen-2-yl-5,6-dihydroimidazo[5,1-a]isoquinoline

C20H22N2OS — CID 59626583

IUPAC8-methoxy-9-(2-methylpropyl)-1-thiophen-2-yl-5,6-dihydroimidazo[5,1-a]isoquinoline
SMILESCOc1cc2c(cc1CC(C)C)-c1c(-c3cccs3)ncn1CC2
InChIInChI=1S/C20H22N2OS/c1-13(2)9-15-10-16-14(11-17(15)23-3)6-7-22-12-21-19(20(16)22)18-5-4-8-24-18/h4-5,8,10-13H,6-7,9H2,1-3H3
InChIKeyQUDCSAUQUYSLIU-UHFFFAOYSA-N
MW338.48 g/mol
LogP5.04
Rot. Bonds4

About 8-methoxy-9-(2-methylpropyl)-1-thiophen-2-yl-5,6-dihydroimidazo[5,1-a]isoquinoline

8-methoxy-9-(2-methylpropyl)-1-thiophen-2-yl-5,6-dihydroimidazo[5,1-a]isoquinoline (PubChem CID 59626583) has the molecular formula C20H22N2OS and a molecular weight of 338.48 g/mol. Its IUPAC name is 8-methoxy-9-(2-methylpropyl)-1-thiophen-2-yl-5,6-dihydroimidazo[5,1-a]isoquinoline.

Molecular Properties

Compound Name8-methoxy-9-(2-methylpropyl)-1-thiophen-2-yl-5,6-dihydroimidazo[5,1-a]isoquinoline
PubChem CID59626583
Molecular FormulaC20H22N2OS
Molecular Weight338.48 g/mol
Exact Mass338.15
IUPAC Name8-methoxy-9-(2-methylpropyl)-1-thiophen-2-yl-5,6-dihydroimidazo[5,1-a]isoquinoline
SMILESCOc1cc2c(cc1CC(C)C)-c1c(-c3cccs3)ncn1CC2
InChIInChI=1S/C20H22N2OS/c1-13(2)9-15-10-16-14(11-17(15)23-3)6-7-22-12-21-19(20(16)22)18-5-4-8-24-18/h4-5,8,10-13H,6-7,9H2,1-3H3
InChIKeyQUDCSAUQUYSLIU-UHFFFAOYSA-N
XLogP5.04
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.48
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

10-fluoro-8-methoxy-9-(2-methylpropyl)-1-thiophen-2-yl-5,6-dihydroimidazo[5,1-a]isoquinoline
CID 59626615
1-(4-chlorophenyl)-8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinoline
CID 70681151
N-tert-butyl-N-ethyl-8-methoxy-9-propan-2-yloxy-1-thiophen-2-yl-5,6-dihydroimidazo[5,1-a]isoquinoline-3-carboxamide
CID 67530240
9-(3-hydroxy-3-methylbutyl)-8-methoxy-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylic acid
CID 142761394
ethyl 8-methoxy-9-(2-methylpropanoylamino)-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate
CID 58147658
N-(3-formyl-8-methoxy-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinolin-9-yl)-2-methylpropanamide
CID 143843414
9-bromo-1-tert-butyl-8-methoxy-5,6-dihydroimidazo[5,1-a]isoquinoline
CID 59626650
N-(2,2-dimethylpropyl)-9-(hydroxymethyl)-8-methoxy-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxamide
CID 66925772
8-methoxy-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline
CID 141263688
N-(2,2-dimethylpropyl)-7-methoxy-8-(2-methylpropyl)-1-thiophen-2-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
CID 121363470
1-(9-amino-8-methoxy-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinolin-3-yl)ethanone;ethane
CID 143843383
2-(dimethylamino)-1-(8-methoxy-9-propan-2-yloxy-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinolin-3-yl)propan-1-one
CID 66925776

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-9-(2-methylpropyl)-1-thiophen-2-yl-5,6-dihydroimidazo[5,1-a]isoquinoline?
The IUPAC name of 8-methoxy-9-(2-methylpropyl)-1-thiophen-2-yl-5,6-dihydroimidazo[5,1-a]isoquinoline (CID 59626583) is 8-methoxy-9-(2-methylpropyl)-1-thiophen-2-yl-5,6-dihydroimidazo[5,1-a]isoquinoline.
What is the SMILES notation for 8-methoxy-9-(2-methylpropyl)-1-thiophen-2-yl-5,6-dihydroimidazo[5,1-a]isoquinoline?
The canonical SMILES for 8-methoxy-9-(2-methylpropyl)-1-thiophen-2-yl-5,6-dihydroimidazo[5,1-a]isoquinoline is COc1cc2c(cc1CC(C)C)-c1c(-c3cccs3)ncn1CC2.
What is the InChIKey of 8-methoxy-9-(2-methylpropyl)-1-thiophen-2-yl-5,6-dihydroimidazo[5,1-a]isoquinoline?
The InChIKey is QUDCSAUQUYSLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2OS/c1-13(2)9-15-10-16-14(11-17(15)23-3)6-7-22-12-21-19(20(16)22)18-5-4-8-24-18/h4-5,8,10-13H,6-7,9H2,1-3H3.
What are the key properties of 8-methoxy-9-(2-methylpropyl)-1-thiophen-2-yl-5,6-dihydroimidazo[5,1-a]isoquinoline?
8-methoxy-9-(2-methylpropyl)-1-thiophen-2-yl-5,6-dihydroimidazo[5,1-a]isoquinoline has a molecular weight of 338.48 g/mol, XLogP of 5.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-9-(2-methylpropyl)-1-thiophen-2-yl-5,6-dihydroimidazo[5,1-a]isoquinoline is sourced from PubChem (CID 59626583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).