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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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).