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

C20H21FN2OS — CID 59626615

IUPAC10-fluoro-8-methoxy-9-(2-methylpropyl)-1-thiophen-2-yl-5,6-dihydroimidazo[5,1-a]isoquinoline
SMILESCOc1cc2c(c(F)c1CC(C)C)-c1c(-c3cccs3)ncn1CC2
InChIInChI=1S/C20H21FN2OS/c1-12(2)9-14-15(24-3)10-13-6-7-23-11-22-19(16-5-4-8-25-16)20(23)17(13)18(14)21/h4-5,8,10-12H,6-7,9H2,1-3H3
InChIKeyKMNFDXZAGPYFHD-UHFFFAOYSA-N
MW356.47 g/mol
LogP5.18
Rot. Bonds4

About 10-fluoro-8-methoxy-9-(2-methylpropyl)-1-thiophen-2-yl-5,6-dihydroimidazo[5,1-a]isoquinoline

10-fluoro-8-methoxy-9-(2-methylpropyl)-1-thiophen-2-yl-5,6-dihydroimidazo[5,1-a]isoquinoline (PubChem CID 59626615) has the molecular formula C20H21FN2OS and a molecular weight of 356.47 g/mol. Its IUPAC name is 10-fluoro-8-methoxy-9-(2-methylpropyl)-1-thiophen-2-yl-5,6-dihydroimidazo[5,1-a]isoquinoline.

Molecular Properties

Compound Name10-fluoro-8-methoxy-9-(2-methylpropyl)-1-thiophen-2-yl-5,6-dihydroimidazo[5,1-a]isoquinoline
PubChem CID59626615
Molecular FormulaC20H21FN2OS
Molecular Weight356.47 g/mol
Exact Mass356.14
IUPAC Name10-fluoro-8-methoxy-9-(2-methylpropyl)-1-thiophen-2-yl-5,6-dihydroimidazo[5,1-a]isoquinoline
SMILESCOc1cc2c(c(F)c1CC(C)C)-c1c(-c3cccs3)ncn1CC2
InChIInChI=1S/C20H21FN2OS/c1-12(2)9-14-15(24-3)10-13-6-7-23-11-22-19(16-5-4-8-25-16)20(23)17(13)18(14)21/h4-5,8,10-12H,6-7,9H2,1-3H3
InChIKeyKMNFDXZAGPYFHD-UHFFFAOYSA-N
XLogP5.18
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.47
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 10-fluoro-8-methoxy-9-(2-methylpropyl)-1-thiophen-2-yl-5,6-dihydroimidazo[5,1-a]isoquinoline with MolForge

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Related Compounds

8-methoxy-9-(2-methylpropyl)-1-thiophen-2-yl-5,6-dihydroimidazo[5,1-a]isoquinoline
CID 59626583
N-tert-butyl-10-fluoro-8-methoxy-N-methyl-9-(2-methylbutyl)-1-thiophen-2-yl-5,6-dihydroimidazo[5,1-a]isoquinoline-3-carboxamide
CID 70824905
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
1-(4-chlorophenyl)-8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinoline
CID 70681151
8-methoxy-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline
CID 141263688
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
14-bromo-15-methoxy-7-(2-methylpropanoyl)-4-propan-2-yl-10-thiophen-2-yl-1,4,7-triazatetracyclo[9.8.0.02,9.012,17]nonadeca-2(9),10,12,14,16-pentaen-3-one
CID 58124918
N-(2,2-dimethylpropyl)-8-methoxy-9-morpholin-4-yl-1-thiophen-2-yl-5,6-dihydroimidazo[5,1-a]isoquinoline-3-carboxamide
CID 67529321
ethyl 8-methoxy-9-propan-2-yloxy-3-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate
CID 89464790
3,5-dimethoxy-4-thiophen-2-ylbenzoic acid
CID 16768733
[3-[tert-butyl(methyl)carbamoyl]-8-methoxy-1-thiophen-2-yl-5,6-dihydroimidazo[5,1-a]isoquinolin-9-yl] trifluoromethanesulfonate;trifluoromethylsulfonyl trifluoromethanesulfonate
CID 161271620

Frequently Asked Questions

What is the IUPAC name of 10-fluoro-8-methoxy-9-(2-methylpropyl)-1-thiophen-2-yl-5,6-dihydroimidazo[5,1-a]isoquinoline?
The IUPAC name of 10-fluoro-8-methoxy-9-(2-methylpropyl)-1-thiophen-2-yl-5,6-dihydroimidazo[5,1-a]isoquinoline (CID 59626615) is 10-fluoro-8-methoxy-9-(2-methylpropyl)-1-thiophen-2-yl-5,6-dihydroimidazo[5,1-a]isoquinoline.
What is the SMILES notation for 10-fluoro-8-methoxy-9-(2-methylpropyl)-1-thiophen-2-yl-5,6-dihydroimidazo[5,1-a]isoquinoline?
The canonical SMILES for 10-fluoro-8-methoxy-9-(2-methylpropyl)-1-thiophen-2-yl-5,6-dihydroimidazo[5,1-a]isoquinoline is COc1cc2c(c(F)c1CC(C)C)-c1c(-c3cccs3)ncn1CC2.
What is the InChIKey of 10-fluoro-8-methoxy-9-(2-methylpropyl)-1-thiophen-2-yl-5,6-dihydroimidazo[5,1-a]isoquinoline?
The InChIKey is KMNFDXZAGPYFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2OS/c1-12(2)9-14-15(24-3)10-13-6-7-23-11-22-19(16-5-4-8-25-16)20(23)17(13)18(14)21/h4-5,8,10-12H,6-7,9H2,1-3H3.
What are the key properties of 10-fluoro-8-methoxy-9-(2-methylpropyl)-1-thiophen-2-yl-5,6-dihydroimidazo[5,1-a]isoquinoline?
10-fluoro-8-methoxy-9-(2-methylpropyl)-1-thiophen-2-yl-5,6-dihydroimidazo[5,1-a]isoquinoline has a molecular weight of 356.47 g/mol, XLogP of 5.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-fluoro-8-methoxy-9-(2-methylpropyl)-1-thiophen-2-yl-5,6-dihydroimidazo[5,1-a]isoquinoline is sourced from PubChem (CID 59626615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).