2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone

C22H24N2O2 — CID 915527

IUPAC2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone
SMILESCOc1ccc2c(c1)c(C(=O)CN1CCc3ccccc3C1)c(C)n2C
InChIInChI=1S/C22H24N2O2/c1-15-22(19-12-18(26-3)8-9-20(19)23(15)2)21(25)14-24-11-10-16-6-4-5-7-17(16)13-24/h4-9,12H,10-11,13-14H2,1-3H3
InChIKeyPZNGWUWKLSKFGY-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.74
Rot. Bonds4

About 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone

2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone (PubChem CID 915527) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone.

Molecular Properties

Compound Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone
PubChem CID915527
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone
SMILESCOc1ccc2c(c1)c(C(=O)CN1CCc3ccccc3C1)c(C)n2C
InChIInChI=1S/C22H24N2O2/c1-15-22(19-12-18(26-3)8-9-20(19)23(15)2)21(25)14-24-11-10-16-6-4-5-7-17(16)13-24/h4-9,12H,10-11,13-14H2,1-3H3
InChIKeyPZNGWUWKLSKFGY-UHFFFAOYSA-N
XLogP3.74
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone?
The IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone (CID 915527) is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone.
What is the SMILES notation for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone?
The canonical SMILES for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone is COc1ccc2c(c1)c(C(=O)CN1CCc3ccccc3C1)c(C)n2C.
What is the InChIKey of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone?
The InChIKey is PZNGWUWKLSKFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-15-22(19-12-18(26-3)8-9-20(19)23(15)2)21(25)14-24-11-10-16-6-4-5-7-17(16)13-24/h4-9,12H,10-11,13-14H2,1-3H3.
What are the key properties of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone?
2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone has a molecular weight of 348.45 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone is sourced from PubChem (CID 915527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).