(6-methylsulfanyl-3,4-dihydro-1H-isoquinolin-2-yl)-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methanone

C20H24N2O2S — CID 118791862

IUPAC(6-methylsulfanyl-3,4-dihydro-1H-isoquinolin-2-yl)-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methanone
SMILESCSc1ccc2c(c1)CCN(C(=O)c1ccc(CN3CCCC3)o1)C2
InChIInChI=1S/C20H24N2O2S/c1-25-18-6-4-16-13-22(11-8-15(16)12-18)20(23)19-7-5-17(24-19)14-21-9-2-3-10-21/h4-7,12H,2-3,8-11,13-14H2,1H3
InChIKeyDDHRUZAJUGWFJQ-UHFFFAOYSA-N
MW356.49 g/mol
LogP3.80
Rot. Bonds4

About (6-methylsulfanyl-3,4-dihydro-1H-isoquinolin-2-yl)-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methanone

(6-methylsulfanyl-3,4-dihydro-1H-isoquinolin-2-yl)-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methanone (PubChem CID 118791862) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is (6-methylsulfanyl-3,4-dihydro-1H-isoquinolin-2-yl)-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methanone.

Molecular Properties

Compound Name(6-methylsulfanyl-3,4-dihydro-1H-isoquinolin-2-yl)-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methanone
PubChem CID118791862
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC Name(6-methylsulfanyl-3,4-dihydro-1H-isoquinolin-2-yl)-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methanone
SMILESCSc1ccc2c(c1)CCN(C(=O)c1ccc(CN3CCCC3)o1)C2
InChIInChI=1S/C20H24N2O2S/c1-25-18-6-4-16-13-22(11-8-15(16)12-18)20(23)19-7-5-17(24-19)14-21-9-2-3-10-21/h4-7,12H,2-3,8-11,13-14H2,1H3
InChIKeyDDHRUZAJUGWFJQ-UHFFFAOYSA-N
XLogP3.80
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (6-methylsulfanyl-3,4-dihydro-1H-isoquinolin-2-yl)-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methanone
CID 131918948
[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methanone
CID 74241802
[(3S,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methanone
CID 72850046
(5-methylfuran-2-yl)-[6-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 59640618
[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methanone
CID 56759492
[4-(dimethylamino)azepan-1-yl]-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methanone
CID 56897720
[5-[(4-hydroxypiperidin-1-yl)methyl]furan-2-yl]-piperidin-1-ylmethanone
CID 15675405
oxalic acid;5-(piperidin-1-ylmethyl)furan-2-carboxylic acid
CID 45156284
[(3S,4R)-3-hydroxy-4-(hydroxymethyl)-4-propylpiperidin-1-yl]-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methanone
CID 164691604
[5-(methylsulfanylmethyl)furan-2-yl]-piperidin-1-ylmethanone
CID 60634727
1-(5-methylsulfanyl-1,3-dihydroisoindol-2-yl)ethanone
CID 142024980
N-methyl-5-[(4-methylpiperazin-1-yl)methyl]-N-[(3-methylsulfanylphenyl)methyl]furan-2-carboxamide
CID 74232354

Frequently Asked Questions

What is the IUPAC name of (6-methylsulfanyl-3,4-dihydro-1H-isoquinolin-2-yl)-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methanone?
The IUPAC name of (6-methylsulfanyl-3,4-dihydro-1H-isoquinolin-2-yl)-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methanone (CID 118791862) is (6-methylsulfanyl-3,4-dihydro-1H-isoquinolin-2-yl)-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methanone.
What is the SMILES notation for (6-methylsulfanyl-3,4-dihydro-1H-isoquinolin-2-yl)-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methanone?
The canonical SMILES for (6-methylsulfanyl-3,4-dihydro-1H-isoquinolin-2-yl)-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methanone is CSc1ccc2c(c1)CCN(C(=O)c1ccc(CN3CCCC3)o1)C2.
What is the InChIKey of (6-methylsulfanyl-3,4-dihydro-1H-isoquinolin-2-yl)-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methanone?
The InChIKey is DDHRUZAJUGWFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2S/c1-25-18-6-4-16-13-22(11-8-15(16)12-18)20(23)19-7-5-17(24-19)14-21-9-2-3-10-21/h4-7,12H,2-3,8-11,13-14H2,1H3.
What are the key properties of (6-methylsulfanyl-3,4-dihydro-1H-isoquinolin-2-yl)-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methanone?
(6-methylsulfanyl-3,4-dihydro-1H-isoquinolin-2-yl)-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methanone has a molecular weight of 356.49 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methylsulfanyl-3,4-dihydro-1H-isoquinolin-2-yl)-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methanone is sourced from PubChem (CID 118791862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).